Sf_category,Sf_framecode,Entry_ID,Sf_ID,ID,Provenance,Name,Type,BMRB_code,PDB_code,Ambiguous_flag,Initial_date,Modified_date,Release_status,Replaced_by,Replaces,One_letter_code,Three_letter_code,Number_atoms_all,Number_atoms_nh,Atom_nomenclature_source,PubChem_code,Subcomponent_list,InChI_code,Mon_nstd_flag,Mon_nstd_class,Mon_nstd_details,Mon_nstd_parent,Mon_nstd_parent_comp_ID,Std_deriv_one_letter_code,Std_deriv_three_letter_code,Std_deriv_BMRB_code,Std_deriv_PDB_code,Std_deriv_chem_comp_name,Synonyms,Formal_charge,Paramagnetic,Aromatic,Formula,Formula_weight,Formula_mono_iso_wt_nat,Formula_mono_iso_wt_13C,Formula_mono_iso_wt_15N,Formula_mono_iso_wt_13C_15N,Image_file_name,Image_file_format,Topo_file_name,Topo_file_format,Struct_file_name,Struct_file_format,Stereochem_param_file_name,Stereochem_param_file_format,Model_details,Model_erf,Model_source,Model_coordinates_details,Model_coordinates_missing_flag,Ideal_coordinates_details,Ideal_coordinates_missing_flag,Model_coordinates_db_code,Processing_site,Vendor,Vendor_product_code,Details,DB_query_date,DB_last_query_revised_last_date chem_comp,C_heme_c,1113,9763,C_heme_c,,L-cysteine-Sg-heme c,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_Synphilin,15095,22362,Synphilin,,Synphilin-1,non-polymer,,Synphilin,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ALAS,15489,29818,ALAS,,ALAS,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_X,16657,52622,X,,CYS-MTSL,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_(2Fe-2S),16787,55127,[2Fe-2S],,"cofactor, two iron two sulfur cluster [2Fe-2S]",,,,,,,,,,,,,,,,,,,,,,,,,,,,,,yes,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_2'-OMe-adenosine,16852,56321,MA,,2'-OMe-adenosine,,,MA,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DTPA,17178,62840,DTPA,,DTPA,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C14H23N3O10,393.35,,,,,,,,,,,,,,,,,,,,,,,,diethylene triamine pentaacetic acid,, chem_comp,chem_comp_PL,18958,96994,PL,,,,,PL,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,Dec_dzAb,2277,120239,Dec_dzAb,,3-hydroxydecanoyl-2-amino-2(z)-butenoic acid,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CA,25172,124085,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,C_Gsh,329,179684,C_Gsh,,glutathionyl L-cysteine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_6PS,4167,194884,6PS,,,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,4202,195576,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,18514,88184,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ATP,5054,216223,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,ATP,ATP,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C10 H16 N5 O13 P3,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,19442,105706,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AAC,1404,20069,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEM_ox,5809,233003,HEM_ox,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_ox,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,yes,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CA,5893,234964,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,15565,31214,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,19759,111527,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_K,19763,111548,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPL,6145,240371,TPLi,,"1,4-trans-isoprene",complete,TPLi,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,C5 H8,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CYN,19763,111549,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_NH2,20018,115719,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FENO,7356,262871,FENO,,Fenofibric acid,non_polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NLW,10001,22,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_ZN,10013,238,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 14:34:17 2011",, chem_comp,chem_comp_ZN,10015,279,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 14:45:26 2011",, chem_comp,chem_comp_ADP,10017,327,ADP,,ADENOSINE-5'-DIPHOSPHATE,non-polymer,,ADP,no,1999-07-08,2011-06-04,REL,,,,ADP,,,,,,,,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 14:54:14 2011",, chem_comp,chem_comp_ZN,10038,765,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:14:20 2011",, chem_comp,chem_comp_GDP,10051,1040,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:22:47 2011",, chem_comp,chem_comp_ZN,10057,1167,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:29:05 2011",, chem_comp,chem_comp_ZN,10098,2016,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:39:22 2011",, chem_comp,chem_comp_ZN,10108,2225,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011",, chem_comp,chem_comp_ZN,10110,2276,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011",, chem_comp,chem_comp_HEC,10132,2715,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 16:16:46 2011",, chem_comp,chem_comp_HEC,10133,2730,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 16:16:46 2011",, chem_comp,chem_comp_HEC,10134,2745,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 16:27:30 2011",, chem_comp,chem_comp_HEC,10135,2760,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 16:27:30 2011",, chem_comp,chem_comp_ZN,10148,3017,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011",, chem_comp,chem_comp_ZN,10151,3086,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:58:51 2011",, chem_comp,chem_comp_ZN,10152,3106,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:58:51 2011",, chem_comp,chem_comp_ZN,10153,3126,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:58:51 2011",, chem_comp,chem_comp_NH2,21082,119185,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,10154,3146,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10155,3166,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10156,3186,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10157,3206,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10158,3226,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10166,3385,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10167,3405,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10168,3425,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10169,3445,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10170,3478,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10171,3498,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10172,3518,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10173,3538,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10174,3558,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10175,3578,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10176,3598,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10177,3618,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10178,3638,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10179,3658,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10180,3691,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10181,3711,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10182,3731,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10183,3751,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10184,3771,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10185,3791,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10186,3811,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10187,3831,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10188,3851,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10189,3871,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,t_Bu_C,2118,119316,t_Bu_C,,S-t-butyl L-cysteine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,10190,3904,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10191,3924,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10192,3944,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10196,4018,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10197,4038,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10198,4058,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10199,4078,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10200,4124,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10201,4144,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10202,4164,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10203,4184,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10204,4204,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10205,4224,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10206,4244,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10207,4264,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10208,4284,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10209,4304,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10210,4337,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10216,4449,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10217,4469,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10218,4489,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10219,4509,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10220,4542,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10221,4562,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10222,4582,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10223,4602,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10224,4622,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10225,4642,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10226,4662,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,Lan_DA,2279,120268,Lan_DA,,meso-lanthionine D-alanine moiety,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,10227,4682,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10228,4702,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10229,4722,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10230,4755,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10231,4775,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10232,4795,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10233,4815,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10234,4835,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_IYR,1024,4945,IYR,PDB,3-IODO-TYROSINE,L-PEPTIDE LINKING,IYR,IYR,no,1999-07-08,2011-12-14,REL,,,Y,IYR,24,14,,,,"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H10 I N O3,307.085,,,,,,,,,,,,,,,,,no,,no,1CF0,RCSB,,,,, chem_comp,chem_comp_ZN,10243,5014,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10244,5034,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10246,5072,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10247,5092,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10257,5287,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,10303,6182,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10304,6202,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10305,6222,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10306,6242,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10307,6262,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10308,6282,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10309,6302,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,10310,6335,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_AYA,1042,6939,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,1043,6953,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,1044,6967,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,1045,6981,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,1056,7047,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AAC,1058,7061,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_ZN,11162,10414,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_HEC,1058,7062,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,1095,7219,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1095,7220,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,aKeto_R,1096,7234,aKeto_R,BMRB,alpha-keto-arginine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,aKeto_R,1097,7247,aKeto_R,BMRB,alpha-keto-arginine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,aKeto_R,1098,7260,aKeto_R,BMRB,alpha-keto-arginine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_SAC,1099,7273,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,chem_comp_SAC,1100,7287,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,chem_comp_CU1,11001,7320,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,,,,,,,,,,,,,,,,,,,1,,,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006",, chem_comp,chem_comp_ACE,11005,7392,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,11005,7393,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ILE_NH2,11006,7411,ILE_NH2,,L-ISOLEUCINAMIDE AMIDE,L-peptide linking,ILE_NH2,,,,,,,,,,,,,,,,,,,,,,ILE,,,,,0,no,no,C6 H13 N2 O1,129.180,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_FUC,11006,7412,FUC,,ALPHA-L-FUCOSE,saccharide,,FUC,,,,,,,,FUC,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:11:51 2009",, chem_comp,chem_comp_NAG,11006,7413,NAG,,N-ACETYL-D-GLUCOSAMINE,D-saccharide,,NAG,,,,,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:20:37 2009",, chem_comp,chem_comp_GCP,11010,7509,GCP,,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,non-polymer,,GCP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C11 H18 N5 O13 P3,521.208,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:58:09 2006",, chem_comp,chem_comp_ZN,11012,7549,ZN,PDB,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_CU1,11020,7729,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,,,,,,,,,,,,,,,,,,,1,,,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006",, chem_comp,chem_comp_ZN,11036,7997,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_MITU-PXY,11053,8292,1,,"2,5-methylenisothiourea-PXY",non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C12 H20 N4 S2,284.444,,,,,,,,,,,,,,,,,,,,,,,,"IUPAC name for the component is (amino{[4-({[amino(ammonio)methyl]thio}methyl)-2,5-dimethylbenzyl]thio}methylidene)ammonium dichloride Empirical formula : [C12 H20 N4 S2 Cl2] Fomula weight : 355.3436 Both Cl ions are free from the moiety and/or bound to it with ionic bond.",, chem_comp,LYS_NH2,11058,8380,LYS_NH2,,L-LYSINAMIDE,non-polymer,LYS_NH2,,,,,,,,,,,,,,,,,,,,,,LYS,,,,,,no,,C6 H15 N3 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,11059,8398,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,11061,8439,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_AAC,1107,8578,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1107,8579,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_JH3,11073,8629,JH3,,"methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate",non-polymer,,JH3,no,2009-05-07,2011-06-04,REL,,,,JH3,,,,,,,,,,,,,,,,,"JH III, juvenile hormone III",0,,no,C16 H26 O3,266.376,,,,,,,,,,,,,,,,,no,,no,2RQF,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 7 14:58:51 2011",, chem_comp,chem_comp_AAC,1108,8759,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1108,8760,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,1109,8970,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,Delta_A,2279,120269,Delta_A,,dehydroalanine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HEC,1109,8971,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,11093,9040,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_AAC,1110,9169,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1110,9170,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,1111,9365,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1111,9366,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,11115,9472,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_ZN,11115,9473,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_AAC,1112,9567,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1112,9568,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,1113,9762,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_ZN,11130,9779,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11131,9799,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_AAC,1114,9963,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1114,9964,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,11146,10087,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_HEC,1115,10159,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1115,10160,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_ZN,11151,10193,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11157,10302,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11159,10340,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_AAC,1116,10360,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1116,10361,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,11161,10394,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11163,10434,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11164,10454,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11165,10474,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11166,10494,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11167,10514,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11168,10534,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11169,10554,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_HEC,1117,10574,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1117,10575,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_ZN,11170,10590,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11171,10610,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11205,11229,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11234,11761,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11237,11817,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11238,11838,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11239,11858,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_GSH,11249,12006,GSH,,GLUTATHIONE,non-polymer,,GSH,,,,,,,,GSH,,,,,,,,,,,,,,,,,,0,,no,C10 H17 N3 O6 S,307.323,,,,,,,,,,,,,,,,,no,,no,1DUG,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:23:24 2009",, chem_comp,chem_comp_FES,11249,12007,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,,,,,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:05:32 2009",, chem_comp,chem_comp_ZN,11287,12722,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11289,12760,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11293,12847,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11302,13011,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11305,13067,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11306,13087,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11307,13107,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11308,13127,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,Lan_LA,2279,120270,Lan_LA,,meso-lanthionine L-alanine moiety,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,11309,13147,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11312,13203,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11313,13223,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11314,13243,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11315,13263,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11316,13283,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11358,14133,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11317,13303,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11319,13341,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11321,13379,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11323,13417,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11324,13437,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11325,13457,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11326,13477,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11327,13497,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11328,13517,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11331,13586,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11332,13606,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11333,13626,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11335,13664,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11336,13684,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11339,13740,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11340,13773,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11341,13793,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11342,13813,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11343,13833,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11344,13853,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11347,13909,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11349,13947,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11350,13980,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11352,14018,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11353,14038,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11354,14058,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11359,14154,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_MLY,11359,14155,MLY,,N-DIMETHYL-LYSINE,L-peptide linking,,MLY,,,,,,,K,MLY,,,,,,,,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:10:45 2009",, chem_comp,chem_comp_ZN,11360,14189,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_M3L,11360,14190,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_ZN,11361,14211,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_M3L,11361,14212,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_ZN,11362,14232,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11363,14252,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11368,14352,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11369,14372,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11377,14505,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11378,14525,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11379,14545,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11380,14578,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11381,14598,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11382,14618,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11383,14638,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11384,14658,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11385,14678,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11386,14698,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11387,14718,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11391,14805,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11392,14825,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11393,14845,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11394,14865,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11395,14885,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11396,14905,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11401,15023,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11403,15061,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11414,15278,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11415,15298,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,11416,15318,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_205,11434,15558,205,,"2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID",non-polymer,,205,no,2005-12-12,2008-10-14,REL,,,,205,,,,,,,,,,,,,,,,,,0,,yes,C14 H7 Cl2 N O3,308.116,,,,,,,,,,,,,,,,,no,,yes,2F8I,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 10:40:10 2011",, chem_comp,chem_comp_205,11436,15589,205,,"2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID",non-polymer,,205,no,2005-12-12,2008-10-14,REL,,,,205,,,,,,,,,,,,,,,,,,0,,yes,C14 H7 Cl2 N O3,308.116,,,,,,,,,,,,,,,,,no,,yes,2F8I,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 10:40:10 2011",, chem_comp,chem_comp_JDT,11437,15604,JDT,,2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate),DNA linking,,JDT,no,2011-04-01,2011-04-01,HOLD,,,,JDT,,,,,,,,,,,DT,,,,,,,0,,no,C11 H17 N2 O8 P,336.235,,,,,,,,,,,,,,,,,no,,no,2RRQ,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 09:34:09 2011",, chem_comp,chem_comp_ALY,11463,15945,ALY,,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,,ALY,no,2000-08-18,2011-06-04,REL,,,K,ALY,,,,,,,,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jan 24 00:11:09 2012",, chem_comp,chem_comp_ZN,11469,16012,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,1147,16035,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ATP,11472,16090,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 28 21:24:09 2012",, chem_comp,chem_comp_ZN,11474,16126,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11475,16146,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11476,16166,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11477,16186,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11478,16206,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11479,16226,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_B27,11570,17890,B27,PDB,"(2R,3S) 3-amino-4-mercapto-2-butanol",L-PEPTIDE COOH CARBOXY TERMINUS,B27,B27,no,2012-11-20,2012-11-20,REL,,,,B27,18,7,,,,"InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1",,,,,THR,,,,,,"(2R,3S)-3-amino-4-sulfanylbutan-2-ol",0,,no,C4 H11 N O S,121.201,,,,,,,,,,,,,,,,,no,Corina,no,2KID,RCSB,,,,, chem_comp,chem_comp_HEC,1148,16246,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,11480,16261,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11481,16281,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11482,16301,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11483,16321,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11484,16341,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11485,16361,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11486,16381,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11487,16401,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,11488,16421,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LPD,1481,20611,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_HEC,1149,16463,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NAP,11492,16515,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,1999-07-08,2011-12-14,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_FOL,11492,16516,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,1999-07-08,2011-12-14,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_M3L,11496,16579,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,2012-04-05,2012-04-05,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,1150,16667,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CU1,11502,16720,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-04-05,2012-04-05,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,11504,16746,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-04-05,2012-04-05,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_PTR,11508,16821,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-04-05,2012-04-05,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HG,11528,17117,HG,PDB,MERCURY (II) ION,NON-POLYMER,HG,HG,no,2012-11-20,2012-11-20,REL,,,,HG,1,1,,,,InChI=1S/Hg/q+2,,,,,,,,,,,,2,,no,Hg,200.590,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,11529,17137,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,11538,17296,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11539,17312,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11543,17390,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11551,17551,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11552,17569,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11553,17587,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,11554,17605,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FOL,11556,17640,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_BOC,11570,17891,BOC,PDB,TERT-BUTYL HYDROGEN CARBONATE,NON-POLYMER,BOC,BOC,no,2012-11-20,2012-11-20,REL,,OTB,,BOC,18,8,,,,"InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)",,,,,,,,,,,,0,,no,C5 H10 O3,118.131,,,,,,,,,,,,,,,,,yes,OpenEye OEToolkits,no,1HPG,RCSB,,,,, chem_comp,chem_comp_SEP,11578,17990,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,11578,17991,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,no,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_GA,11596,18299,GA,PDB,GALLIUM (III) ION,NON-POLYMER,GA,GA,no,2012-11-20,2012-11-20,REL,,,,GA,1,1,,,,InChI=1S/Ga/q+3,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AG,11608,18419,AG,PDB,SILVER ION,NON-POLYMER,AG,AG,no,2012-11-20,2012-11-20,REL,,,,AG,1,1,,,,InChI=1S/Ag/q+1,,,,,,,,,,,,1,,no,Ag,107.868,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AAC,1170,18573,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1170,18574,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,no,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,1171,18588,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1171,18589,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,1192,18736,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1192,18737,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,1194,18751,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1194,18752,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_SMC,1194,18753,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,1999-07-08,2011-12-14,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_SAM,12018,18953,SAM,PDB,S-ADENOSYLMETHIONINE,NON-POLYMER,SAM,SAM,no,2012-11-20,2012-11-20,REL,,,,SAM,49,27,,,,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1",,,,,,,,,,,,0,,yes,C15 H22 N6 O5 S,398.437,,,,,,,,,,,,,,,,,no,,no,1CMC,PDBJ,,,,, chem_comp,chem_comp_FME,12019,18968,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_PCA,12021,19012,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BGC,12022,19028,BGC,PDB,BETA-D-GLUCOSE,SACCHARIDE,BGC,BGC,no,2012-11-20,2012-11-20,REL,,,,BGC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1GU3,EBI,,,,, chem_comp,chem_comp_ZN,12026,19062,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,131,19596,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,131,19597,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_SAC,1393,19949,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,C_Gsh,1393,19950,C_Gsh,,glutathionyl L-cysteine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_SAC,1394,19963,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,C_Gsh,1394,19964,C_Gsh,,glutathionyl L-cysteine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,1403,20055,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEC,1404,20068,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,MeLanDAb,2279,120271,MeLanDAb,,"(2S, 3S, 6R)-3-methyllanthionine D-2-aminobutyric acid moiety",non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HEC,1416,20122,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AYA,144,20162,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_ACE,1445,20241,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,1445,20242,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,1446,20256,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,1446,20257,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,146,20414,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LPD,1482,20625,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_PHF,15000,20797,PHF,PDB,HF-OXO-PHOSPHATE CLUSTER PHF,non-polymer,,PHF,yes,2002-11-12,2008-10-14,REL,,,,PHF,,,,,,,,,,,,,,,,,,0,,no,H11 Hf5 O23 P,1302.497,,,,,,,,,,,,,,,,,no,,yes,1O7T,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 18:11:24 2011",, chem_comp,chem_comp_ZN,15001,20823,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 18:19:17 2011",, chem_comp,chem_comp_ZN,15002,20843,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 18:24:57 2011",, chem_comp,chem_comp_ZN,15014,20998,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 09:00:20 2011",, chem_comp,chem_comp_GIQ,15026,21133,GIQ,,"3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE",non-polymer,,GIQ,no,2006-07-13,2011-06-04,REL,,,,GIQ,,,,,,,,,,,,,,,,,"2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE",0,,yes,C11 H10 N4,198.224,,,,,,,,,,,,,,,,,no,,no,2HKC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 10:10:40 2011",, chem_comp,chem_comp_NH2,15031,21210,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,15040,21354,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 20:40:07 2011",, chem_comp,chem_comp_NH2,15041,21369,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 20:27:44 2011",, chem_comp,chem_comp_NH2,15042,21384,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 20:34:19 2011",, chem_comp,chem_comp_NH2,15043,21399,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 20:40:07 2011",, chem_comp,chem_comp_NH2,15044,21414,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 20:40:07 2011",, chem_comp,chem_comp_GDP,15048,21478,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 21:09:33 2011",, chem_comp,chem_comp_NH2,15050,21511,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 21:38:37 2011",, chem_comp,chem_comp_NH2,15051,21528,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 21:45:26 2011",, chem_comp,chem_comp_ACE,15056,21611,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:06:17 2011",, chem_comp,chem_comp_AIB,15056,21612,AIB,,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,,AIB,no,1999-07-08,2011-06-04,REL,,,A,AIB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:06:52 2011",, chem_comp,chem_comp_DIV,15056,21613,DIV,,D-ISOVALINE,D-PEPTIDE LINKING,,DIV,no,1999-07-08,2011-06-04,REL,,,V,DIV,,,,,,,,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,,no,1JOH,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:07:32 2011",, chem_comp,MeLan_LA,2279,120272,MeLan_LA,,"(2S, 3S, 6R)-3-methyllanthionine L-alanine moiety",non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HYP,15056,21614,HYP,,4-HYDROXYPROLINE,L-PEPTIDE LINKING,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:08:08 2011",, chem_comp,chem_comp_PHL,15056,21615,PHL,,L-PHENYLALANINOL,L-PEPTIDE LINKING,,PHL,no,1999-07-08,2011-06-04,REL,,,F,PHL,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,,no,1JOH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:10:48 2011",, chem_comp,chem_comp_ZN,15059,21675,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:26:32 2011",, chem_comp,chem_comp_PGA,15065,21775,PGA,,2-PHOSPHOGLYCOLIC ACID,non-polymer,,PGA,no,1999-07-08,2011-06-04,REL,,2PL,,PGA,,,,,,,,,,,,,,,,,,0,,no,C2 H5 O6 P,156.031,,,,,,,,,,,,,,,,,no,,no,1AMK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 22:51:28 2011",, chem_comp,chem_comp_PGA,15067,21827,PGA,,2-PHOSPHOGLYCOLIC ACID,non-polymer,,PGA,no,1999-07-08,2011-06-04,REL,,2PL,,PGA,,,,,,,,,,,,,,,,,,0,,no,C2 H5 O6 P,156.031,,,,,,,,,,,,,,,,,no,,no,1AMK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:10:39 2011",, chem_comp,chem_comp_NH2,15068,21848,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:20:41 2011",, chem_comp,chem_comp_NH2,15069,21865,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:25:49 2011",, chem_comp,chem_comp_HEM,15073,21932,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:46:19 2011",, chem_comp,chem_comp_ZN,15074,21949,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 7 15:06:23 2011",, chem_comp,chem_comp_PSU,15081,22078,PSU,,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,,PSU,no,1999-07-08,2011-06-04,REL,,,U,PSU,,,,,,,,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 10:31:27 2011",, chem_comp,chem_comp_OMG,15081,22079,OMG,,O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA LINKING,,OMG,no,1999-07-08,2011-06-04,REL,,,G,OMG,,,,,,,,,,,G,,,,,,,0,,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 10:32:09 2011",, chem_comp,chem_comp_JN3,15084,22140,JN3,,CHENODEOXYCHOLIC ACID,non-polymer,,JN3,,2007-01-02,2011-06-04,REL,,,,JN3,,,,,,,,,,,,,,,,,"(3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID",0,,no,C24 H40 O4,392.572,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 10:50:22 2011",, chem_comp,chem_comp_ZN,15100,22443,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2+,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_CU1,15112,22657,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,,,,,,,,,,,,,,,,,,,1,,,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006",, chem_comp,chem_comp_ZN,15112,22658,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,15113,22679,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_MYR,15114,22704,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2012-11-20,2012-11-20,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,,, chem_comp,chem_comp_MYR,15116,22741,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2012-11-20,2012-11-20,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,,, chem_comp,chem_comp_ZN,15120,22796,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_CA,15120,22797,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:01:48 2006",, chem_comp,chem_comp_NGH,15120,22798,NGH,,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,non-polymer,,NGH,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C13 H20 N2 O5 S,316.373,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:22:12 2006",, chem_comp,chem_comp_BFC,15122,22838,BFC,PDB,(R)-3-HYDROXYTETRADECANAL,NON-POLYMER,BFC,BFC,,2012-11-20,2012-11-20,REL,,,,BFC,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,2NPV,RCSB,,,,, chem_comp,chem_comp_DLE,15122,22839,DLE,PDB,D-LEUCINE,D-PEPTIDE LINKING,DLE,DLE,no,2012-11-20,2012-11-20,REL,,,L,DLE,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1GMK,RCSB,,,,, chem_comp,chem_comp_CHDA,15143,23235,CHDA,,cis-7-heptadecenoic acid,non-polymer,,CHDA,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,C17 H28 05,294.3,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PCA,15145,23297,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:41:00 2006",, chem_comp,chem_comp_TPO,15159,23519,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,,,,,,,T,TPO,,,,,,,,,,,THR,,,,,,,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:30:04 2009",, chem_comp,chem_comp_ZN,15160,23554,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_ZN,15161,23577,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_SAH,15170,23759,SAH,,S-ADENOSYL-L-HOMOCYSTEINE,non-polymer,,SAH,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C14 H20 N6 O5 S,384.411,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:07:21 2006",, chem_comp,chem_comp_ZN,15173,23818,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_HYP,15174,23833,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,,,,,,,P,HYP,,,,,,,,,,,PRO,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:36:58 2009",, chem_comp,chem_comp_HYP,15175,23851,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,,,,,,,P,HYP,,,,,,,,,,,PRO,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:36:58 2009",, chem_comp,chem_comp_LPD,1518,23934,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_LPD,1519,24106,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_ZN,15196,24230,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_GNP,15202,24338,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:02:30 2006",, chem_comp,chem_comp_MG,15202,24339,MG,,MAGNESIUM ION,non-polymer,,MG,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Mg,24.305,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:02:19 2006",, chem_comp,chem_comp_ZN,15208,24448,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006",, chem_comp,chem_comp_REA,15219,24655,REA,,RETINOIC ACID,non-polymer,,REA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C20 H28 O2,300.435,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:01:57 2006",, chem_comp,chem_comp_ORP,15223,24708,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_ORP,15224,24725,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_ORP,15227,24775,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,saccharide,,ORP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:35:02 2006",, chem_comp,chem_comp_GNP,15230,24831,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:02:30 2006",, chem_comp,chem_comp_MG,15230,24832,MG,PDB,MAGNESIUM ION,non-polymer,,MG,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Mg,24.305,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:02:19 2006",, chem_comp,chem_comp_HOH,15230,24833,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ORP,15238,24972,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_PCA,15241,25028,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 10:26:05 2011",, chem_comp,chem_comp_NLE,15241,25029,NLE,,NORLEUCINE,L-PEPTIDE LINKING,,NLE,no,1999-07-08,2011-06-04,REL,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 10:27:52 2011",, chem_comp,chem_comp_NH2,15241,25030,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 10:30:40 2011",, chem_comp,chem_comp_CMP,15249,25160,CMP,,"ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE",non-polymer,,CMP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C10 H12 N5 O6 P,329.206,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:10:56 2006",, chem_comp,chem_comp_FOL,15253,25213,FOL,,FOLIC ACID,non-polymer,,FOL,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:51:09 2006",, chem_comp,chem_comp_ZN,15270,25547,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:31:22 2011",, chem_comp,chem_comp_HYP,15272,25591,HYP,,4-HYDROXYPROLINE,L-PEPTIDE LINKING,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:34:57 2011",, chem_comp,chem_comp_DPN,15272,25592,DPN,,D-PHENYLALANINE,D-PEPTIDE LINKING,,DPN,no,1999-07-08,2011-06-04,REL,,,,DPN,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:35:35 2011",, chem_comp,chem_comp_HYP,15273,25612,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:17:49 2006",, chem_comp,chem_comp_CA,15279,25734,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:01:48 2006",, chem_comp,chem_comp_MEA,15282,25810,MEA,,N-METHYLPHENYLALANINE,L-peptide linking,,MEA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 22:49:45 2007",, chem_comp,chem_comp_2ML,15284,25841,2ML,,2-METHYLLEUCINE,L-peptide linking,,2ML,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 15:58:21 2007",, chem_comp,chem_comp_CYN,18424,86477,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-04-05,2012-04-05,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_MLZ,15285,25857,MLZ,,N-METHYL-LYSINE,L-peptide linking,,MLZ,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 22:38:27 2007",, chem_comp,chem_comp_MEA,15287,25887,MEA,,N-METHYLPHENYLALANINE,L-peptide linking,,MEA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 22:49:45 2007",, chem_comp,chem_comp_ZN,15289,25924,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:31:22 2011",, chem_comp,chem_comp_SAR,15291,25968,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-11-20,2012-11-20,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_DSE,15292,25983,DSE,,N-METHYL-D-SERINE,D-peptide linking,,DSE,no,1999-07-08,2008-10-15,REL,,,,DSE,,,,,,,,,,,SER,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,1CWH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:56:32 2008",, chem_comp,chem_comp_2ML,15293,25998,2ML,,2-METHYLLEUCINE,L-peptide linking,,2ML,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 15:58:21 2007",, chem_comp,chem_comp_DSE,15293,25999,DSE,,N-METHYL-D-SERINE,D-peptide linking,,DSE,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 19:46:48 2007",, chem_comp,chem_comp_MNV,15294,26014,MNV,,N-METHYL-C-AMINO VALINE,L-peptide linking,,MNV,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 22:42:05 2007",, chem_comp,chem_comp_2ML,15294,26015,2ML,,2-METHYLLEUCINE,L-peptide linking,,2ML,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 15:58:21 2007",, chem_comp,chem_comp_MethylSER,15294,26016,MethylSER,,MethylSER,L-peptide linking,,MethylSER,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 18 19:46:48 2007",, chem_comp,chem_comp_CA,15296,26053,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_ZN,15300,26100,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 19 02:38:10 2007",, chem_comp,chem_comp_HEC,15301,26125,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_FES,15301,26126,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_CM0,15331,26592,CM0,,5-(CARBOXYMETHOXY) URIDINE-5'-MONOPHOSPHATE,non-polymer,,CM0,,,,,,,,,,,,,,,,,,,,,CM0,,,,,0,,,C11 H15 N2 O12 P,398.217,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 19:09:27 2007",, chem_comp,chem_comp_6MZ,15331,26593,6MZ,,N6-METHYLADENOSINE-5'-MONOPHOSPHATE,non-polymer,,6MZ,,,,,,,,,,,,,,,,,,,,,6MZ,,,,,0,,,C11 H16 N5 O7 P,361.248,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 17:08:43 2007",, chem_comp,chem_comp_ZN,15333,26632,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_ZN,15338,26769,ZN,,ZINC ION ON 3-FOLD CRYSTAL AXIS,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_CM0,15342,26907,CM0,,5-(CARBOXYMETHOXY) URIDINE-5'-MONOPHOSPHATE,non-polymer,,CM0,,,,,,,,,,,,,,,,,,,,,CM0,,,,,0,,,C11 H15 N2 O12 P,398.217,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 19:09:27 2007",, chem_comp,chem_comp_ZN,15361,27318,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_CA,15361,27319,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_NGH,15361,27320,NGH,,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,non-polymer,,NGH,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C13 H20 N2 O5 S,316.373,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 23:32:40 2007",, chem_comp,chem_comp_6MZ,15362,27344,6MZ,,N6-METHYLADENOSINE-5'-MONOPHOSPHATE,non-polymer,,6MZ,,,,,,,,,,,,,,,,,,,,,6MZ,,,,,0,,,C11 H16 N5 O7 P,361.248,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 17:08:43 2007",, chem_comp,chem_comp_HYP,15363,27366,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 21:44:30 2007",, chem_comp,chem_comp_DPN,15363,27367,DPN,,D-PHENYLALANINE,L-peptide linking,,DPN,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 20:01:45 2007",, chem_comp,chem_comp_ZN,15364,27388,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_CA,18545,88775,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,15373,27537,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_ZN,15374,27564,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_NI,15375,27586,NI,,NICKEL (II) ION,non-polymer,,NI,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ni,58.693,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 23:34:37 2007",, chem_comp,chem_comp_NCX,15376,27610,NCX,,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE,DNA linking,,NCX,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C14 H16 N3 O9 P,401.265,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 23:27:51 2007",, chem_comp,chem_comp_ZN,15377,27631,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_HLT,15384,27774,HLT,,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",non-polymer,,HLT,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,C2 H Br Cl F3,197.382,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 21:34:19 2007",, chem_comp,chem_comp_CA,15385,27796,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_CA,15388,27852,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_ACE,15391,27920,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,15391,27921,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,15392,27938,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,15392,27939,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,15395,28007,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_CA,15395,28008,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_ZN,15396,28027,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007",, chem_comp,chem_comp_CA,15396,28028,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007",, chem_comp,chem_comp_CA,15400,28093,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 10 14:07:05 2011",, chem_comp,chem_comp_FTR,15400,28094,FTR,,FLUOROTRYPTOPHANE,L-PEPTIDE LINKING,,FTR,no,1999-07-08,2011-06-04,REL,,,W,FTR,,,,,,,,,,,TRP,,,,,,,0,,yes,C11 H11 F N2 O2,222.216,,,,,,,,,,,,,,,,,no,,no,5FWG,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 10 14:08:01 2011",, chem_comp,chem_comp_CA,15402,28131,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 10 14:30:38 2011",, chem_comp,chem_comp_CA,15422,28498,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 10:50:12 2011",, chem_comp,chem_comp_MG,15422,28499,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 10:51:45 2011",, chem_comp,chem_comp_CA,15425,28546,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:55 2011",, chem_comp,chem_comp_MG,15425,28547,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:29 2011",, chem_comp,chem_comp_CA,15427,28579,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:55 2011",, chem_comp,chem_comp_FTR,15427,28580,FTR,,FLUOROTRYPTOPHANE,L-PEPTIDE LINKING,,FTR,no,1999-07-08,2011-06-04,REL,,,W,FTR,,,,,,,,,,,TRP,,,,,,,0,,yes,C11 H11 F N2 O2,222.216,,,,,,,,,,,,,,,,,no,,no,5FWG,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:22:15 2011",, chem_comp,chem_comp_OLA,15433,28670,OLA,PDB,OLEIC ACID,non-polymer,,OLA,no,1999-07-08,2011-06-04,REL,,OLI,,OLA,,,,,,,,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:59:11 2011",, chem_comp,chem_comp_OLA,15434,28697,OLA,PDB,OLEIC ACID,non-polymer,,OLA,no,1999-07-08,2011-06-04,REL,,OLI,,OLA,,,,,,,,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:59:11 2011",, chem_comp,chem_comp_NFA,15443,28883,NFA,,PHENYLALANINE AMIDE,L-PEPTIDE LINKING,,NFA,no,1999-07-08,2011-06-04,REL,,,F,NFA,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 12:50:04 2011",, chem_comp,chem_comp_ORN,15443,28884,ORN,,L-ornithine,L-PEPTIDE LINKING,,ORN,no,1999-07-08,2011-06-04,REL,,,A,ORN,,,,,,,,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 12:50:41 2011",, chem_comp,chem_comp_CHA,15443,28885,CHA,,1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE,non-polymer,,CHA,no,1999-07-08,2011-06-04,REL,,,,CHA,,,,,,,,,,,,,,,,,,0,,no,C9 H19 N O,157.253,,,,,,,,,,,,,,,,,no,,no,1HRN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 12:51:19 2011",, chem_comp,chem_comp_ZN,15446,28950,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 11:29:59 2011",, chem_comp,chem_comp_ALO,15454,29122,ALO,,ALLO-THREONINE,L-PEPTIDE LINKING,,ALO,no,1999-07-08,2011-06-04,REL,,,T,ALO,,,,,,,,,,,THR,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,1HDT,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 12:22:21 2011",, chem_comp,chem_comp_ABA,15455,29147,ABA,,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 12:28:18 2011",, chem_comp,chem_comp_BG6,15467,29398,BG6,,BETA-D-GLUCOSE-6-PHOSPHATE,non-polymer,,BG6,no,2000-08-29,2011-06-04,REL,,,,BG6,,,,,,,,,,,,,,,,,,0,,no,C6 H13 O9 P,260.136,,,,,,,,,,,,,,,,,no,,no,1E77,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 17 12:06:32 2011",, chem_comp,chem_comp_ALF,15467,29399,ALF,,TETRAFLUOROALUMINATE ION,non-polymer,,ALF,no,1999-07-08,2011-06-04,REL,,,,ALF,,,,,,,,,,,,,,,,,,-1,,no,Al F4,102.975,,,,,,,,,,,,,,,,,no,,yes,1TAD,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 17 12:07:17 2011",, chem_comp,chem_comp_MG,15467,29400,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 17 12:07:47 2011",, chem_comp,chem_comp_CA,15470,29458,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_STI,15488,29793,STI,PDB,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,NON-POLYMER,STI,STI,no,2012-11-20,2012-11-20,REL,,,,STI,68,37,,,,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",,,,,,,,,,,STI-571;IMATINIB,0,,yes,C29 H31 N7 O,493.603,,,,,,,,,,,,,,,,,no,,no,1IEP,RCSB,,,,, chem_comp,chem_comp_DHAX,15489,29815,DHAX,,"alpha,beta-didehydroalaine",L-peptide linking,,DHAX,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DHBX,15489,29816,DHBX,,"alpha,beta-didehydrobutyric acid",non-polymer,,DHBX,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C4H7NO2,154.120,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ABUX,15489,29817,ABUX,,beta-methylalanine moiety of beta-methyllanthionine,L-peptide linking,,ABUX,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C4H8NO2,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_AYA,15489,29819,AYA,,N-ACETYLALANINE,L-peptide linking,,AYA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 18:42:56 2007",, chem_comp,chem_comp_HWD,15492,29881,HWD,PDB,"2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID",NON-POLYMER,HWD,HWD,no,2012-11-20,2012-11-20,REL,,,,HWD,23,14,,,,"InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1",,,,,,,,,,,WILLARDIINE,0,,yes,C7 H9 N3 O4,199.164,,,,,,,,,,,,,,,,,no,,no,1MQJ,RCSB,,,,, chem_comp,chem_comp_FWD,15493,29898,FWD,,"2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID",non-polymer,,FWD,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C7 H8 F N3 O4,217.155,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 21:37:21 2007",, chem_comp,chem_comp_BWD,15494,29915,BWD,,"2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID",non-polymer,,BWD,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C7 H8 Br N3 O4,278.060,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:19:17 2007",, chem_comp,chem_comp_IWD,15495,29932,IWD,,"2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID",non-polymer,,IWD,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C7 H8 I N3 O4,325.061,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 22:58:52 2007",, chem_comp,chem_comp_CD,15578,31516,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 27 14:48:26 2011",, chem_comp,chem_comp_KAI,15496,29949,KAI,,3-CARBOXYMETHYL-4-ISOPROPYL-PYRROLIDINE-2-CARBOXYLIC ACID,non-polymer,,KAI,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C10 H17 N O4,215.246,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 23:03:49 2007",, chem_comp,chem_comp_ZN,15499,29997,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_ZN,15500,30016,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_ACE,15504,30085,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:09:16 2011",, chem_comp,chem_comp_RAP,15507,30134,RAP,PDB,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,NON-POLYMER,RAP,RAP,no,2012-11-20,2012-11-20,REL,,,,RAP,144,65,,,,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",,,,,,,,,,,,0,,no,C51 H79 N O13,914.172,,,,,,,,,,,,,,,,,no,,no,1FKL,RCSB,,,,, chem_comp,chem_comp_CA,15515,30284,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_DKA,15515,30285,DKA,,DECANOIC ACID,non-polymer,,DKA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C10 H20 O2,172.265,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:34:44 2007",, chem_comp,chem_comp_DSG,15515,30286,DSG,,D-ASPARAGINE,D-peptide linking,,DSG,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:48:34 2007",, chem_comp,chem_comp_ORN,15515,30287,ORN,,ORNITHINE,L-peptide linking,,ORN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,C5 H14 N2 O2,134.177,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 00:51:13 2007",, chem_comp,chem_comp_DAL,15515,30288,DAL,,D-ALANINE,D-peptide linking,,DAL,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:18:27 2007",, chem_comp,chem_comp_DSN,15515,30289,DSN,,D-SERINE,D-peptide linking,,DSN,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:48:42 2007",, chem_comp,chem_comp_MEG,15515,30290,MEG,,"(2S,3R)-3-METHYL-GLUTAMIC ACID",L-peptide linking,,MEG,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 23:39:13 2007",, chem_comp,chem_comp_KYN,15515,30291,KYN,,KYNURENINE,L-peptide linking,,KYN,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C10 H12 N2 O3,208.214,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 23:08:43 2007",, chem_comp,chem_comp_GW1929,15518,30325,,,GW1929,,,,,,,,,,,,,,,,,,,,,,,,,,,,,1-,no,yes,C30 H29 N3 O4,495.57,,,,,,,,,,,,,,,,,,,,,,,,N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]-L-tyrosine,, chem_comp,chem_comp_GNP,15525,30446,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2011-06-04,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:42:32 2011",, chem_comp,chem_comp_MG,15525,30447,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:44:35 2011",, chem_comp,chem_comp_HOH,15525,30448,HOH,,WATER,non-polymer,,HOH,no,1999-07-08,2011-06-04,REL,,MTO,,HOH,,,,,,,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:51:16 2011",, chem_comp,chem_comp_ZN,15532,30599,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_ZN,15533,30619,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_ZN,15545,30856,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_UQ8,15546,30877,UQ8,,UBIQUINONE-1,non-polymer,,UQ8,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C14 H18 O4,250.290,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:25:04 2007",, chem_comp,chem_comp_NAG,15553,31003,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 14:16:11 2011",, chem_comp,chem_comp_CA,15554,31026,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_CA,15561,31127,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_MTN,15562,31143,MTN,PDB,"S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",NON-POLYMER,MTN,MTN,no,2012-11-20,2012-11-20,REL,,,,MTN,34,16,,,,"InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3",,,,,,,,,,,MTSL,0,,no,C10 H18 N O3 S2,264.385,,,,,,,,,,,,,,,,,yes,Corina,no,1RF8,RCSB,,,,, chem_comp,chem_comp_ACE,15565,31213,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,15594,31789,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_YB,15594,31790,YB,,YTTERBIUM (III) ION,non-polymer,,YB,,,,,,,,,,,,,,,,,,,,,,,,,,3,,no,Yb,173.040,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:44:53 2007",, chem_comp,chem_comp_ZN,15602,31921,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_ZN,15610,32116,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DFP,15706,33894,DFP,,DIISOPROPYL PHOSPHONATE,non-polymer,,DFP,,,,,,,,,,,,,,,,,,,,,DFP,,,,,0,,no,C6 H15 O3 P,166.155,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:36:01 2008",, chem_comp,chem_comp_PZD,15613,32196,PZD,,"(11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one",non-polymer,,PZD,no,2008-06-16,2011-06-04,REL,,,,PZD,,,,,,,,,,,,,,,,,,0,,yes,C24 H22 N2 O3,386.443,,,,,,,,,,,,,,,,,no,,no,2K4L,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 15:58:28 2011",, chem_comp,chem_comp_PCA,15620,32325,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 01:08:22 2007",, chem_comp,chem_comp_MAN,15621,32342,MAN,,ALPHA-D-MANNOSE,D-saccharide,,MAN,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 23:33:13 2007",, chem_comp,chem_comp_CA,15623,32377,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_CA,15624,32394,CA,PDB,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_CHR,15629,32489,CHR,,"2,3-DIAMINO-6,7-DIHYDROXYQUINOLINE-BASED-CHROMOPHORE",non-polymer,,CHR,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C35 H33 N O12,659.636,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:43:34 2007",, chem_comp,chem_comp_OHO,15629,32490,OHO,,N-FORMYL-N-HYDROXYORNITHINE,non-polymer,,OHO,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C7 H13 N O2,143.184,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 00:45:57 2007",, chem_comp,chem_comp_GA,15629,32491,GA,,GALLIUM (III) ION,non-polymer,,GA,,,,,,,,,,,,,,,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 21:42:30 2007",, chem_comp,chem_comp_TYS,15635,32571,TYS,,SULFONATED TYROSINE,L-peptide linking,,TYS,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:12:49 2007",, chem_comp,chem_comp_TYS,15637,32616,TYS,,SULFONATED TYROSINE,L-peptide linking,,TYS,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:12:49 2007",, chem_comp,chem_comp_NLQ,15639,32656,NLQ,,N~2~-ACETYL-L-GLUTAMINE,L-peptide linking,,NLQ,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C7 H12 N2 O4,188.181,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 00:27:49 2007",, chem_comp,chem_comp_SET,15639,32657,SET,,AMINOSERINE,L-peptide linking,,SET,,,,,,,,,,,,,,,,,,,,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 02:20:30 2007",, chem_comp,chem_comp_ACE,15640,32673,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,15640,32674,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,15644,32737,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_CA,15650,32846,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_PNS,15658,33028,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,15660,33072,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007",, chem_comp,chem_comp_CA,15663,33141,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007",, chem_comp,chem_comp_ZN,15670,33256,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_ZN,15671,33279,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_M3L,15671,33280,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,,,,,,,,,,,,,,,M3L,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:45:28 2008",, chem_comp,chem_comp_CU1,15690,33601,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,,,,,,,,,,,,,,CU1,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:28:42 2008",, chem_comp,chem_comp_ZN,15700,33757,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_ZN,15701,33784,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_CA,15704,33857,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_DY,15705,33874,DY,,Dysprosium (III) ION,non-polymer,,DY,,,,,,,,,,,,,,,,,,,,,DY,,,,,3,,no,Dy,174.967,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:43:54 2008",, chem_comp,chem_comp_ZN,18546,88808,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,15706,33895,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ZN,15715,34043,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_CA,15716,34063,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_CYC,15717,34081,CYC,,PHYCOCYANOBILIN,non-polymer,,CYC,,,,,,,,,,,,,,,,,,,,,CYC,,,,,0,,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:29:46 2008",, chem_comp,chem_comp_CA,15722,34196,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_FMN,15724,34239,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_FMN,15725,34279,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2016-02-17,2016-02-17,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,Corina,no,1FLM,RCSB,,,,, chem_comp,chem_comp_35G,15734,34462,35G,PDB,"GUANOSINE-3',5'-MONOPHOSPHATE",NON-POLYMER,35G,35G,no,2012-11-20,2012-11-20,REL,,,,35G,35,23,,,,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H12 N5 O7 P,345.205,,,,,,,,,,,,,,,,,no,Corina,no,1BHN,RCSB,,,,, chem_comp,chem_comp_A2G,15737,34528,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,saccharide,,A2G,,,,,,,,,,,,,,,,,,,,,A2G,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,,,,,,,,"For the glycan structure see also Young et al. (2002) J. Biol. Chem. 277, 42530. Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 17:40:20 2008",, chem_comp,chem_comp_BGC,15737,34529,BGC,,BETA-D-GLUCOSE,saccharide,,BGC,,,,,,,,,,,,,,,,,,,,,BGC,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:03:18 2008",, chem_comp,chem_comp_CA,15743,34652,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ACE,15747,34721,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,15747,34722,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEM_red,15765,35059,HEM_red,BMRB,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_red,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_MTN,15774,35205,MTN,,"2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHYL)-2,5-DIHYDRO-1H-PYRROL-1-OL",non-polymer,,MTN,,,,,,,,,,,,,,,,,,,,,MTN,,,,,0,,no,C9 H17 N O S,187.302,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:58:00 2008",, chem_comp,chem_comp_ZN,15776,35250,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_ACE,15778,35291,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_TYS,15778,35292,TYS,PDB,O-SULFO-L-TYROSINE,L-PEPTIDE LINKING,TYS,TYS,no,2012-11-27,2012-11-27,REL,,STY,Y,TYS,28,17,,,,"InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,15778,35293,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FAD,15788,35501,FAD,,FLAVIN-ADENINE DINUCLEOTIDE,non-polymer,,FAD,,,,,,,,,,,,,,,,,,,,,FAD,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:54:04 2008",, chem_comp,chem_comp_CA,15789,35521,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ZN,15796,35643,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_NH2,25318,126636,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_LAT,15800,35730,LAT,,BETA-LACTOSE,SACCHARIDE,,LAT,no,1999-07-08,2011-06-04,REL,,,,LAT,,,,,,,,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 12:40:01 2011",, chem_comp,chem_comp_GNP,15803,35788,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2011-06-04,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 12:48:02 2011",, chem_comp,chem_comp_GDP,15809,35916,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 12:58:25 2011",, chem_comp,chem_comp_MYR,15809,35917,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:39:57 2011",, chem_comp,chem_comp_ZN,15811,35978,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:15:35 2011",, chem_comp,chem_comp_COA,15848,36869,COA,PDB,COENZYME A,NON-POLYMER,COA,COA,no,2012-11-20,2012-11-20,REL,,,,COA,84,48,,,,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",,,,,,,,,,,,0,,yes,C21 H36 N7 O16 P3 S,767.534,,,,,,,,,,,,,,,,,no,,no,1H16,EBI,,,,, chem_comp,chem_comp_CA,15851,36979,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_CA,15852,37003,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ITL,15854,37046,ITL,PDB,"(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid",NON-POLYMER,ITL,ITL,no,2012-11-20,2012-11-20,REL,,,,ITL,124,58,,,,"InChI=1S/C41H66N4O13/c1-25(4-11-34(47)48)29-7-8-30-28-6-5-26-20-27(12-14-40(26,2)31(28)13-15-41(29,30)3)42-33(46)10-9-32(39(57)58)45(18-16-43(21-35(49)50)22-36(51)52)19-17-44(23-37(53)54)24-38(55)56/h25-32H,4-24H2,1-3H3,(H,42,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25-,26-,27+,28+,29-,30+,31+,32+,40+,41-/m1/s1",,,,,,,,,,,,0,,no,C41 H66 N4 O13,822.982,,,,,,,,,,,,,,,,,no,Corina,no,2K62,RCSB,,,,, chem_comp,chem_comp_D33,15860,37213,D33,,1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole,non-polymer,,D33,,,,,,,,,,,,,,,,,,,,,D33,,,,,0,,yes,C8 H13 N2 O6 P,264.140,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:27:42 2008 Given name as: 2'-DEOXYIMIDAZOLENUCLEOSIDE-5'-MONOPHOSPHATE",, chem_comp,chem_comp_SDS,15876,37481,SDS,,DODECYL SULFATE,non-polymer,,SDS,,,,,,,,,,,,,,,,,,,,,SDS,,,,,0,,no,C12 H26 O4 S,266.397,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:48:37 2008",, chem_comp,chem_comp_NAL,15879,37532,NAL,,BETA-(2-NAPHTHYL)-ALANINE,L-peptide linking,,NAL,,,,,,,,,,,,,,,,,,,,,NAL,,,,,0,no,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:02:23 2008",, chem_comp,chem_comp_DNS,15879,37533,DNS,,N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE,L-peptide linking,,DNS,,,,,,,,,,,,,,,,,,,,,DNS,,,,,0,no,yes,C18 H25 N3 O4 S,379.474,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:40:39 2008",, chem_comp,chem_comp_NAG,15881,37585,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 28 12:33:51 2011",, chem_comp,chem_comp_CA_2+,15892,37770,CA_2+,,CALCIUM (II) ION,non-polymer,CA_2+,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,no,CA1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CU,15896,37846,CU,,COPPER (II) ION,non-polymer,,CU,,,,,,,,,,,,,,,,,,,,,CU,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:28:40 2008",, chem_comp,chem_comp_CU,15897,37868,CU,,COPPER (II) ION,non-polymer,,CU,,,,,,,,,,,,,,,,,,,,,CU,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:28:40 2008",, chem_comp,chem_comp_FMN,15904,38059,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2011-06-04,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 15:48:46 2011",, chem_comp,chem_comp_CA,15909,38225,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 16:24:00 2011",, chem_comp,chem_comp_ZNH,15913,38327,ZNH,,PROTOPORPHYRIN IX CONTAINING ZN,non-polymer,,ZNH,yes,2001-03-01,2008-10-14,REL,,,,ZNH,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 N4 O4 Zn,626.051,,,,,,,,,,,,,,,,,no,,yes,1I55,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 18 14:52:31 2011",, chem_comp,chem_comp_2SU,15915,38371,2SU,,2-THIOURIDINE-5'-MONOPHOSPHATE,,,2SU,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PSU,15915,38372,PSU,,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,,PSU,no,1999-07-08,2011-06-04,REL,,,U,PSU,,,,,,,,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 18 15:06:03 2011",, chem_comp,chem_comp_CA,15918,38446,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_TPO,15919,38464,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,,,,,,,,,,,,,,,,,,,,,TPO,,,,,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:05:22 2008",, chem_comp,chem_comp_CA,15923,38527,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ZN,15926,38590,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_CA,15934,38715,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ZN,15935,38733,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:15:13 2012",, chem_comp,chem_comp_ZN,15941,38869,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_ZN,15948,38986,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_RET,15955,39102,RET,PDB,RETINAL,NON-POLYMER,RET,RET,no,2012-11-20,2012-11-20,REL,,,,RET,49,21,,,,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",,,,,,,,,,,,0,,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,Corina,no,1OPB,EBI,,,,, chem_comp,chem_comp_IHP,15960,39199,IHP,,INOSITOL HEXAKISPHOSPHATE,non-polymer,,IHP,,,,,,,,,,,,,,,,,,,,,IHP,,,,,0,,no,C6 H18 O24 P6,660.035,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:26:33 2008",, chem_comp,chem_comp_HEM,15962,39231,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,,,,,,,,,,,,,,HEM,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:17:10 2008",, chem_comp,chem_comp_HEM,15963,39256,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,,,,,,,,,,,,,,HEM,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:17:10 2008",, chem_comp,chem_comp_NLE,15983,39568,NLE,,NORLEUCINE,L-PEPTIDE LINKING,,NLE,no,1999-07-08,2011-06-04,REL,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:39:23 2012",, chem_comp,chem_comp_NH2,15983,39569,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:40:09 2012",, chem_comp,chem_comp_HYP,15986,39589,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NAG,15986,39590,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_ZN,16014,40096,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_ZN,16015,40114,ZN,PDB,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_308,16020,40192,308,,"(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",non-polymer,,308,no,2008-02-21,2008-10-14,REL,,,,308,,,,,,,,,,,,,,,,,Amantadine,0,,no,C10 H17 N,151.249,,,,,,,,,,,,,,,,,no,,no,3C9J,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:14:38 2009",, chem_comp,chem_comp_ACE,16022,40227,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,16022,40228,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,16023,40248,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HIA,16023,40249,HIA,PDB,L-HISTIDINE AMIDE,L-peptide linking,,HIA,,,,,,,,,,,,,,,,,,,,,HIA,,,,,0,,yes,C6 H10 N4 O,154.170,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:18:29 2008",, chem_comp,chem_comp_NH2,16023,40250,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_GA,16024,40271,GA,,GALLIUM (III) ION,non-polymer,,GA,,,,,,,,,,,,,,,,,,,,,GA,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:04:02 2008",, chem_comp,chem_comp_ZN,16025,40291,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,,,,,,,ZN,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008",, chem_comp,chem_comp_DAL,16026,40310,DAL,,D-ALANINE,D-peptide linking,,DAL,,,,,,,,,,,,,,,,,,,,,DAL,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:32:39 2008",, chem_comp,chem_comp_FME,16028,40342,FME,,N-FORMYLMETHIONINE,L-peptide linking,,FME,,,,,,,,,,,,,,,,,,,,,FME,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:57:56 2008",, chem_comp,chem_comp_CA,16034,40471,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ACE,25319,126654,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_FMN,16037,40510,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2011-06-04,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 17 13:35:57 2011",, chem_comp,chem_comp_TPO,16038,40531,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,,,,,,,,,,,,,,,,,,,,,TPO,,,,,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:05:22 2008",, chem_comp,chem_comp_PCA,16040,40563,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,,,,,,,,,,,,,,,,,,,,,PCA,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:23:05 2008",, chem_comp,chem_comp_ReAsH,16041,40579,ReAsH,,"ReAsH, resorufin arsenical hairpin binder",non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C12 H4 N O3 As2,360,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HXA,16046,40666,HXA,,"DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID",non-polymer,,HXA,,,,,,,,,,,,,,,,,,,,,HXA,,,,,0,,no,C22 H32 O2,328.488,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:22:23 2008",, chem_comp,chem_comp_ZN,18551,88925,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ELA,16047,40682,ELA,,9-OCTADECENOIC ACID,non-polymer,,ELA,no,1999-07-08,2011-06-04,REL,,,,ELA,,,,,,,,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 24 11:35:15 2011",, chem_comp,chem_comp_OLA,16048,40698,OLA,,OLEIC ACID,non-polymer,,OLA,no,1999-07-08,2011-06-04,REL,,OLI,,OLA,,,,,,,,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 24 11:42:16 2011",, chem_comp,chem_comp_EIC,16049,40714,EIC,,LINOLEIC ACID,non-polymer,,EIC,,,,,,,,,,,,,,,,,,,,,EIC,,,,,0,,no,C18 H32 O2,280.445,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:48:39 2008",, chem_comp,chem_comp_CA,16050,40731,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_ACE,16056,40842,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,16056,40843,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AMP,16059,40902,AMP,,ADENOSINE MONOPHOSPHATE,non-polymer,,AMP,no,1999-07-08,2008-10-15,REL,,,,AMP,,,,,,,,,,,,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:13:55 2008",, chem_comp,chem_comp_ZN,16063,40986,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,16126,42137,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,16127,42154,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_D33,16138,42309,D33,PDB,1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole,DNA LINKING,D33,D33,no,2012-04-05,2012-04-05,REL,,,N,D33,30,17,,,,"InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,yes,C8 H13 N2 O6 P,264.172,,,,,,,,,,,,,,,,,no,Corina,no,2K69,RCSB,,,,, chem_comp,chem_comp_AG,16138,42310,AG,,SILVER ION,non-polymer,,AG,no,1999-07-08,2008-10-15,REL,,,,AG,,,,,,,,,,,,,,,,,,1,,no,Ag,107.868,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:10:19 2008",, chem_comp,chem_comp_SEC,16140,42348,SEC,PDB,SELENOCYSTEINE,L-PEPTIDE LINKING,SEC,SEC,no,2014-07-17,2014-07-17,REL,,,U,SEC,14,7,,,,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 Se,168.053,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_CA,16179,43094,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,16180,43115,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,16181,43136,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NLW,16182,43155,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_WW7,16190,43343,WW7,,N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE,non-polymer,,WW7,no,1999-07-08,2008-10-15,REL,,,,WW7,,,,,,,,,,,,,,,,,,0,,yes,C16 H21 Cl N2 O2 S,340.868,,,,,,,,,,,,,,,,,no,,no,1MUX,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:00:00 2008",, chem_comp,chem_comp_CA,16190,43344,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-10-15,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:34:14 2008",, chem_comp,chem_comp_CA,16191,43363,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-10-15,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:34:14 2008",, chem_comp,chem_comp_SXA,16196,43454,SXA,PDB,"THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER",NON-POLYMER,SXA,SXA,no,2012-04-05,2012-04-05,REL,,,,SXA,50,25,,,,"InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m1/s1",,,,,,,,,,,,0,,no,C13 H25 N2 O8 P S,400.385,,,,,,,,,,,,,,,,,no,Corina,no,2KG6,RCSB,,,,, chem_comp,chem_comp_SXM,16197,43472,SXM,PDB,"3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid",NON-POLYMER,SXM,SXM,no,2012-04-05,2012-04-05,REL,,,,SXM,53,28,,,,"InChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m1/s1",,,,,,,,,,,"THIOMALONIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER",0,,no,C14 H25 N2 O10 P S,444.394,,,,,,,,,,,,,,,,,no,Corina,no,2KG8,RCSB,,,,, chem_comp,chem_comp_PSR,16199,43504,PSR,PDB,"THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER",NON-POLYMER,PSR,PSR,no,2012-04-05,2012-04-05,REL,,,,PSR,56,27,,,,"InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m1/s1",,,,,,,,,,,,0,,no,C15 H29 N2 O8 P S,428.438,,,,,,,,,,,,,,,,,yes,,no,1L0I,RCSB,,,,, chem_comp,chem_comp_SXH,16200,43548,SXH,PDB,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",NON-POLYMER,SXH,SXH,no,2012-04-05,2012-04-05,REL,,,,SXH,62,29,,,,"InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1",,,,,,,,,,,,0,,no,C17 H33 N2 O8 P S,456.491,,,,,,,,,,,,,,,,,no,Corina,no,2KGA,RCSB,,,,, chem_comp,chem_comp_SHO,16526,49877,SHO,PDB,5-HYDROXYLAEVULINIC ACID,NON-POLYMER,SHO,SHO,no,2012-04-05,2012-04-05,REL,,,,SHO,18,8,,,,"InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)",,,,,,,,,,,5-HYDROXYPENTANOIC ACID,0,,no,C5 H10 O3,118.131,,,,,,,,,,,,,,,,,no,,no,1W31,EBI,,,,, chem_comp,chem_comp_SXO,16201,43566,SXO,PDB,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",NON-POLYMER,SXO,SXO,no,2012-04-05,2012-04-05,REL,,,,SXO,68,31,,,,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1",,,,,,,,,,,,0,,no,C19 H37 N2 O8 P S,484.544,,,,,,,,,,,,,,,,,no,Corina,no,2KGC,RCSB,,,,, chem_comp,chem_comp_SXV,16202,43584,SXV,PDB,"N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide",NON-POLYMER,SXV,SXV,no,2012-04-05,2012-04-05,REL,,,,SXV,56,27,,,,"InChI=1S/C15H29N2O8PS/c1-11(18)5-8-27-9-7-16-12(19)4-6-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H2,22,23,24)/t13-/m1/s1",,,,,,,,,,,,0,,no,C15 H29 N2 O8 P S,428.438,,,,,,,,,,,,,,,,,no,Corina,no,2KGD,RCSB,,,,, chem_comp,chem_comp_SXD,16203,43602,SXD,PDB,"N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide",NON-POLYMER,SXD,SXD,no,2012-04-05,2012-04-05,REL,,,,SXD,61,30,,,,"InChI=1S/C17H31N2O9PS/c1-12(20)10-13(21)5-8-30-9-7-18-14(22)4-6-19-16(24)15(23)17(2,3)11-28-29(25,26)27/h15,23H,4-11H2,1-3H3,(H,18,22)(H,19,24)(H2,25,26,27)/t15-/m1/s1",,,,,,,,,,,,0,,no,C17 H31 N2 O9 P S,470.475,,,,,,,,,,,,,,,,,no,Corina,no,2KGE,RCSB,,,,, chem_comp,chem_comp_HIS,16204,43619,HIS,,HISTIDINE,L-peptide linking,,HIS,no,1999-07-08,2008-10-15,REL,,,H,HIS,,,,,,,,,,,,,,,,,,1,,yes,C6 H10 N3 O2,156.162,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:25:19 2008",, chem_comp,chem_comp_HG,16208,43679,HG,,MERCURY (II) ION,non-polymer,,HG,,,,,,,,HG,,,,,,,,,,,,,,,,,,2,,no,Hg,200.590,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:24:32 2008",, chem_comp,chem_comp_ZN,16209,43695,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_ZN,16210,43714,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_M3L,16210,43715,M3L,,N-TRIMETHYLLYSINE,non-polymer,,M3L,no,1999-07-08,2008-10-15,REL,,,,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:47:06 2008",, chem_comp,chem_comp_ZN,16214,43779,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_FAG,16222,43924,FAG,,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA linking,,FAG,no,1999-07-08,2008-10-15,REL,,,,FAG,,,,,,,,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,,no,1HM1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:04:00 2008",, chem_comp,chem_comp_FAG,16223,43946,FAG,,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA linking,,FAG,no,1999-07-08,2008-10-15,REL,,,,FAG,,,,,,,,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,,no,1HM1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:04:00 2008",, chem_comp,chem_comp_CTG,16225,43968,CTG,,"(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHYMIDINE-5'-MONOPHOSPHATE",DNA linking,,CTG,,,,,,,,CTG,,,,,,,,,,,DT,,,,,,,0,,no,C10 H17 N2 O10 P,356.223,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:44:36 2008",, chem_comp,chem_comp_CTG,16226,43993,CTG,,"(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHYMIDINE-5'-MONOPHOSPHATE",DNA linking,,CTG,no,2006-09-13,2008-10-15,REL,,,,CTG,,,,,,,,,,,DT,,,,,,,0,,no,C10 H17 N2 O10 P,356.223,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:44:36 2008",, chem_comp,chem_comp_ZN,16245,44317,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_TPO,16248,44368,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,,TPO,no,1999-07-08,2008-10-15,REL,,,,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 20:49:55 2008",, chem_comp,chem_comp_ZN,16266,44724,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-10-15,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008",, chem_comp,chem_comp_NH2,25319,126655,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,16270,44818,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-10-15,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:34:14 2008",, chem_comp,chem_comp_PHQ,16270,44819,PHQ,,FORMIC ACID BENZYL ESTER,non-polymer,,PHQ,no,1999-07-15,2008-10-15,REL,,"BZO,CBZ",,PHQ,,,,,,,,,,,,,,,,,,0,,yes,C8 H8 O2,136.148,,,,,,,,,,,,,,,,,no,,no,1QDU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 20:18:26 2008",, chem_comp,chem_comp_B27,16270,44820,B27,,"(2R,3S) 3-amino-4-mercapto-2-butanol",L-PEPTIDE COOH CARBOXY TERMINUS,,B27,no,2009-05-20,2011-06-04,REL,,,,B27,,,,,,,,,,,THR,,,,,,"(2R,3S)-3-amino-4-sulfanylbutan-2-ol",0,,no,C4 H11 N O S,121.201,,,,,,,,,,,,,,,,,no,,no,2KID,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 16 15:34:49 2011",, chem_comp,chem_comp_HEM,16276,44947,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:24:00 2008",, chem_comp,chem_comp_CMO,16276,44948,CMO,,CARBON MONOXIDE,non-polymer,,CMO,,,,,,,,CMO,,,,,,,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:40:20 2008",, chem_comp,chem_comp_CA,18556,89018,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CMO,16278,44993,CMO,,CARBON MONOXIDE,non-polymer,,CMO,,,,,,,,CMO,,,,,,,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:40:20 2008",, chem_comp,chem_comp_HEM,16278,44994,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:24:00 2008",, chem_comp,chem_comp_IMD,16278,44995,IMD,,IMIDAZOLE,non-polymer,,IMD,,,,,,,,IMD,,,,,,,,,,,,,,,,,,1,,yes,C3 H5 N2,69.085,,,,,,,,,,,,,,,,,no,,no,1MUN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:32:56 2008",, chem_comp,chem_comp_DQDPPN,16281,45047,DQDPPN,,DQDPPN,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,DQDPPN.tif,tiff,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DQDPPN,16287,45159,DQDPPN,,DQDPPN,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,dqdppn.tif,tiff,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DQDPPN,16288,45176,DQDPPN,,DQDPPN,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,DQDPPN.tif,tiff,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_dqdppn,16290,45208,dqdppn,,dqdppn,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,dqdppn.tif,tiff,,,,,,,,,,,,,,,,,,dqdppn is bound symmetrically in fast exchange,, chem_comp,chem_comp_RuTDpy,16291,45225,RuTDpy,,Ru(tpm)(dppz)py,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,ru_tpm.tif,tiff,,,,,,,,,,,,,,,,,,Ligand intercalates symmetrically at both ends,, chem_comp,chem_comp_RuTDpy,16292,45242,RuTDpy,,Ru(tpm)(dppz)py,,,,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,yes,,,,,,,ru_tpm.tif,tiff,,,,,,,,,,,,,,,,,,Ligand intercalates symmetrically at both ends,, chem_comp,chem_comp_HEB,16306,45483,HEB,,HEME B/C,non-polymer,,HEB,yes,1999-07-08,2008-10-14,REL,,,,HEB,,,,,,,,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1QQ3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 08:58:22 2011",, chem_comp,chem_comp_HEM,16307,45514,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 09:06:27 2011",, chem_comp,chem_comp_JN3,16309,45544,JN3,,CHENODEOXYCHOLIC ACID,non-polymer,,JN3,,2007-01-02,2008-10-15,REL,,,,JN3,,,,,,,,,,,,,,,,,"(3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID",0,,no,C24 H40 O4,392.572,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:37:02 2008",, chem_comp,chem_comp_ZN,16318,45731,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_TOY,16337,46028,TOY,,TOBRAMYCIN,non-polymer,,TOY,no,2002-04-09,2011-06-04,REL,,,,TOY,,,,,,,,,,,,,,,,,"4-AMINO-2-[4,6-DIAMINO-3-(3-AMINO-6-AMINOMETHYL-5-HYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-2-HYDROXY-CYCLOHEXYLOXY]-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",0,,no,C18 H37 N5 O9,467.514,,,,,,,,,,,,,,,,,no,,no,1LC4,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 10:14:07 2011",, chem_comp,chem_comp_CA,16340,46105,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-10-15,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:34:14 2008",, chem_comp,chem_comp_DGL,16343,46159,DGL,,D-GLUTAMIC ACID,D-peptide linking,,DGL,,,,,,,,DGL,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:51:20 2008",, chem_comp,chem_comp_INO,16356,46431,INO,,2-HYDROXYISONICOTINIC ACID N-OXIDE,non-polymer,,INO,no,1999-07-08,2008-10-15,REL,,,,INO,,,,,,,,,,,,,,,,,,0,,yes,C6 H5 N O4,155.108,,,,,,,,,,,,,,,,,no,,no,3PCJ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:33:54 2008",, chem_comp,chem_comp_ACE,16368,46661,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,16397,47357,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_HYP,16400,47421,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2009-01-07,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:36:58 2009",, chem_comp,chem_comp_HEM,16401,47447,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2008-12-05,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,yes,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_ZN,16402,47464,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CU1,16408,47572,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:36:26 2009",, chem_comp,chem_comp_GL1,16409,47596,GL1,,1-O-phosphono-alpha-D-galactopyranose,non-polymer,,GL1,no,2005-04-14,2011-06-04,REL,,,,GL1,,,,,,,,,,,,,,,,,ALPHA-D-GALACTOSE-1-PHOSPHATE,0,,no,C6 H13 O9 P,260.136,,,,,,,,,,,,,,,,,no,,no,1Z4O,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 1 15:45:01 2011",, chem_comp,chem_comp_MGF,16409,47597,MGF,,TRIFLUOROMAGNESATE,non-polymer,,MGF,no,2003-04-01,2011-06-04,REL,,,,MGF,,,,,,,,,,,,,,,,,,-1,,no,F3 Mg,81.300,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 1 15:46:44 2011",, chem_comp,chem_comp_MG,16409,47598,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 1 15:48:00 2011",, chem_comp,chem_comp_LHG,16415,47685,LHG,,"1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE",non-polymer,,LHG,no,2001-06-25,2011-06-04,REL,,,,LHG,,,,,,,,,,,,,,,,,,0,,no,C38 H75 O10 P,722.970,,,,,,,,,,,,,,,,,no,,no,1JB0,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 13:11:44 2011",, chem_comp,chem_comp_NLE,16416,47707,NLE,,NORLEUCINE,L-PEPTIDE LINKING,,NLE,no,1999-07-08,2011-06-04,REL,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 13:19:04 2011",, chem_comp,chem_comp_PPN,16416,47708,PPN,,PARA-NITROPHENYLALANINE,L-PEPTIDE LINKING,,PPN,no,1999-07-08,2011-06-04,REL,,,F,PPN,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 N2 O4,210.187,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 13:19:44 2011",, chem_comp,chem_comp_TH3,16419,47765,TH3,,TRANS DELTA2 PALMITENOYL-COENZYMEA,non-polymer,,TH3,,2007-03-30,2011-06-04,REL,,,,TH3,,,,,,,,,,,,,,,,,,0,,yes,C37 H64 N7 O17 P3 S,1003.927,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 13:24:49 2011",, chem_comp,chem_comp_GuHCl,16420,47794,,,GuHCl,,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,,59.070,,,,,,,,,,,,,,,,,,,,,,,,Guanidinium-HCl,, chem_comp,chem_comp_C16PN,16422,47829,,,C16PN,,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,C16PN,407.568,,,,,,,,,,,,,,,,,,,,,,,,n-hexadecylphosphocholine,, chem_comp,chem_comp_SB3,16423,47856,SB3,PDB,"1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE",NON-POLYMER,SB3,SB3,no,2012-11-20,2012-11-20,REL,,,,SB3,68,33,,,,"InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t23-,24+/m0/s1",,,,,,,,,,,,0,,yes,C28 H35 N O4,449.582,,,,,,,,,,,,,,,,,no,,no,1FKG,RCSB,,,,, chem_comp,chem_comp_SEP,16426,47917,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2009-01-07,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:10:32 2009",, chem_comp,chem_comp_TPO,16426,47918,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,no,1999-07-08,2009-01-07,REL,,,T,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:30:04 2009",, chem_comp,chem_comp_LPD,1643,47969,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_DAR,16431,48004,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,,DAR,no,1999-07-08,2011-06-04,REL,,,R,DAR,,,,,,,,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:15:06 2011",, chem_comp,chem_comp_PPA,16431,48005,PPA,PDB,METHYLAMINOPHOSPHINIC ACID,non-polymer,,PPA,no,1999-07-08,2011-06-04,HOLD,,,,PPA,,,,,,,,,,,,,,,,,,0,,no,C H6 N O2 P,95.038,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:17:41 2011",, chem_comp,chem_comp_ATP,16441,48155,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:30:44 2011",, chem_comp,chem_comp_HEM_ox,16443,48197,HEM_ox,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_ox,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,yes,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ADP,16451,48333,ADP,,ADENOSINE-5'-DIPHOSPHATE,non-polymer,,ADP,no,1999-07-08,2008-10-14,REL,,,,ADP,,,,,,,,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:50:05 2009",, chem_comp,chem_comp_MG,16451,48334,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2008-12-05,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009",, chem_comp,chem_comp_PO4,16453,48365,PO4,,PHOSPHATE ION,non-polymer,,PO4,no,1999-07-08,2011-06-04,REL,,IPS,,PO4,,,,,,,,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:48:54 2011",, chem_comp,chem_comp_CA,16454,48388,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_GGP,16455,48405,GGP,PDB,"BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE",NON-POLYMER,GGP,GGP,no,2012-11-20,2012-11-20,REL,,,,GGP,99,67,,,,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35-,41-/m0/s1",,,,,,,,,,,,0,,yes,C41 H32 O26,940.677,,,,,,,,,,,,,,,,,no,,no,1JJQ,RCSB,,,,, chem_comp,chem_comp_ACE,25320,126673,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CE6,16457,48465,CE6,PDB,CELLOHEXAOSE,NON-POLYMER,CE6,CE6,no,2012-11-20,2012-11-20,REL,,,,CE6,129,67,,,,"InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+/m1/s1",,,,,,,,,,,,0,,no,C36 H62 O31,990.859,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_CHO,16458,48487,CHO,,GLYCOCHENODEOXYCHOLIC ACID,D-SACCHARIDE,,CHO,no,1999-07-08,2011-06-04,REL,,,,CHO,,,,,,,,,,,,,,,,,,0,,no,C26 H43 N O5,449.623,,,,,,,,,,,,,,,,,yes,,no,1FMC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:55:57 2011",, chem_comp,chem_comp_HEC,1646,48528,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_B12-nucleotide,16460,48543,,,B12-nucleotide,,,,,,,,,,,,,,,,,,,,,,,,,,,,,1+,no,yes,C16 H26 N3 O7 P,,,,,,,,,,,,,,,,,,,,,,,,,derived from Cyanocobalamin,, chem_comp,chem_comp_ACE,16462,48577,ACE,,ACETYL GROUP,non-polymer,,ACE,,,,,,,,ACE,,,,,,,,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:48:52 2009",, chem_comp,chem_comp_ADP,16464,48617,ADP,,ADENOSINE-5'-DIPHOSPHATE,non-polymer,,ADP,no,1999-07-08,2011-06-04,REL,,,,ADP,,,,,,,,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:26:27 2011",, chem_comp,chem_comp_MG,16464,48618,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:27:45 2011",, chem_comp,chem_comp_3PG,16464,48619,3PG,,3-PHOSPHOGLYCERIC ACID,non-polymer,,3PG,no,1999-07-08,2011-06-04,REL,,MP3,,3PG,,,,,,,,,,,,,,,,,,0,,no,C3 H7 O7 P,186.057,,,,,,,,,,,,,,,,,no,,no,1QHF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:28:54 2011",, chem_comp,chem_comp_ALF,16464,48620,ALF,,TETRAFLUOROALUMINATE ION,non-polymer,,ALF,no,1999-07-08,2011-06-04,REL,,,,ALF,,,,,,,,,,,,,,,,,,-1,,no,Al F4,102.975,,,,,,,,,,,,,,,,,no,,yes,1TAD,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:29:47 2011",, chem_comp,chem_comp_CA,16465,48637,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:34:58 2011",, chem_comp,chem_comp_HEC,1647,48737,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,16473,48804,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_L-161_240,16475,48827,"L-161,240",,"L-161,240",,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,yes,C15H20N2O5,308.33,,,,,L161240.png,png,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,16475,48828,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CA,16480,48940,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,16481,48964,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,16482,48989,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,16483,49015,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,16485,49063,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_JZF,16491,49186,JZF,,"ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate",non-polymer,,JZF,no,2009-09-17,2011-06-04,REL,,,,JZF,,,,,,,,,,,,,,,,,,0,,no,C19 H29 N O6,367.437,,,,,,,,,,,,,,,,,no,,no,2KO7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 16:23:41 2011",, chem_comp,chem_comp_FME,16492,49211,FME,,N-FORMYLMETHIONINE,L-peptide linking,,FME,,,,,,,M,FME,,,,,,,,,,,MET,,,,,,,0,no,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:07:42 2009",, chem_comp,chem_comp_ZN,16492,49212,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_IHS,16493,49234,IHS,PDB,D-MYO-INOSITOL-HEXASULPHATE,non-polymer,,IHS,no,2002-05-23,2008-10-14,REL,,,,IHS,,,,,,,,,,,,,,,,,,0,no,no,C6 H12 O24 S6,660.535,,,,,,,,,,,,,,,,,yes,,no,1LR8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:41:18 2009",, chem_comp,chem_comp_ZN,16861,56531,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_NTS,16502,49425,NTS,PDB,NAPHTHALENE TRISULFONATE,non-polymer,,NTS,no,1999-07-08,2011-06-04,REL,,,,NTS,,,,,,,,,,,,,,,,,,-3,,yes,C10 H5 O9 S3,365.336,,,,,,,,,,,,,,,,,no,,no,1RML,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 12:50:32 2011",, chem_comp,chem_comp_PNS,16506,49495,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 12:58:40 2011",, chem_comp,chem_comp_CA,16509,49549,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,16510,49582,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_SXH,16524,49839,SXH,PDB,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",NON-POLYMER,SXH,SXH,no,2012-04-05,2012-04-05,REL,,,,SXH,62,29,,,,"InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1",,,,,,,,,,,,0,,no,C17 H33 N2 O8 P S,456.491,,,,,,,,,,,,,,,,,no,Corina,no,2KGA,RCSB,,,,, chem_comp,chem_comp_SYO,16525,49858,SYO,PDB,"[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate",NON-POLYMER,SYO,SYO,no,2012-04-05,2012-04-05,REL,,,,SYO,68,31,,,,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-15(22)9-12-31-13-11-20-16(23)8-10-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,23)(H,21,25)(H2,26,27,28)/t17-/m1/s1",,,,,,,,,,,,0,,no,C19 H37 N2 O8 P S,484.544,,,,,,,,,,,,,,,,,no,Corina,no,2KOP,PDBJ,,,,, chem_comp,chem_comp_CA,18557,89040,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SOD,16527,49898,SOD,PDB,"(1S,4S,5S,6R,9S,11S)-6-CHLORO-9-FORMYL-13-ISOPROPYL-5-METHYL-2-({[(3AR,5R,7R ,7AS)-7-METHYL-3-METHYLENEHEXAHYDRO-2H-FURO[2,3-C]PYRAN-5-YL]OXY}METHYL)TETR ACYCLO[7.4.0.02,11.04,8]TRIDEC-12-ENE-1-CARBOXYLIC ACI",NON-POLYMER,SOD,SOD,,2012-04-05,2012-04-05,REL,,,,SOD,75,36,,,,"InChI=1S/C29H39ClO6/c1-14(2)21-6-18-9-27(12-31)22-8-23(30)16(4)20(22)10-28(18,29(21,27)26(32)33)13-35-24-7-19-15(3)11-34-25(19)17(5)36-24/h6,12,14,16-20,22-25H,3,7-11,13H2,1-2,4-5H3,(H,32,33)/t16-,17+,18-,19-,20+,22+,23+,24+,25+,27-,28-,29-/m0/s1",,,,,,,,,,,,0,,no,C29 H39 Cl O6,519.069,,,,,,,,,,,,,,,,,no,,no,2E1R,RCSB,,,,, chem_comp,chem_comp_SXO,16528,49917,SXO,PDB,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",NON-POLYMER,SXO,SXO,no,2012-04-05,2012-04-05,REL,,,,SXO,68,31,,,,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1",,,,,,,,,,,,0,,no,C19 H37 N2 O8 P S,484.544,,,,,,,,,,,,,,,,,no,Corina,no,2KGC,RCSB,,,,, chem_comp,chem_comp_PNS-x,16529,49936,PNS-x,,phosphopantetheine attached to the acyl chain by a thioester bond,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C11 H23 N2 O7 P S,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PNS-x,16530,49966,PNS-x,,phosphopantetheine attached to the acyl chain by a thioester bond,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C11 H23 N2 O7 P S,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PNS-x,16531,49983,PNS-x,,phosphopantetheine attached to the acyl chain by a thioester bond,,,PNS,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C11 H23 N2 O7 P S,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PNS-x,16532,50000,PNS-x,,phosphopantetheine attached to the acyl chain by a thioester bond,,,PNS,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C11 H23 N2 O7 P S,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PNS-x,16533,50017,PNS-x,,phosphopantetheine attached to the acyl chain by a thioester bond,,,PNS,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C11 H23 N2 O7 P S,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NLE,1654,50120,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NLE,1655,50307,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_SEP,16551,50335,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 12:48:26 2011",, chem_comp,chem_comp_CA,16561,50525,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_G3P,16566,50663,G3P,,SN-GLYCEROL-3-PHOSPHATE,non-polymer,,G3P,no,1999-07-08,2008-10-14,REL,,,,G3P,,,,,,,,,,,,,,,,,,0,,no,C3 H9 O6 P,172.074,,,,,,,,,,,,,,,,,no,,no,2TSY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:14:34 2009",, chem_comp,chem_comp_FMN,16579,50952,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2008-10-14,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,no,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:07:53 2009",, chem_comp,chem_comp_CA,16584,51136,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,16594,51329,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,16596,51371,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CZH,16599,51432,CZH,,C2-HYDROPEROXY-COELENTERAZINE,non-polymer,,CZH,,,,,,,,CZH,,,,,,,,,,,,,,,,,,0,,yes,C26 H21 N3 O5,455.462,,,,,,,,,,,,,,,,,no,,no,1EJ3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:38:24 2009",, chem_comp,chem_comp_2KT,16707,53697,2KT,,2-KETOBUTYRIC ACID,non-polymer,,2KT,no,2003-12-10,2011-06-04,REL,,,,2KT,,,,,,,,,,,,,,,,,2-OXOBUTANOIC ACID,0,,no,C4 H6 O3,102.089,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:36:57 2011",, chem_comp,chem_comp_TOY,16604,51535,TOY,,TOBRAMYCIN,non-polymer,,TOY,no,2002-04-09,2011-06-04,REL,,,,TOY,,,,,,,,,,,,,,,,,"4-AMINO-2-[4,6-DIAMINO-3-(3-AMINO-6-AMINOMETHYL-5-HYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-2-HYDROXY-CYCLOHEXYLOXY]-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",0,,no,C18 H37 N5 O9,467.514,,,,,,,,,,,,,,,,,no,,no,1LC4,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:50:19 2011",, chem_comp,chem_comp_RIO,16609,51637,RIO,,RIBOSTAMYCIN,non-polymer,,RIO,no,2002-07-08,2011-06-04,REL,,,,RIO,,,,,,,,,,,,,,,,,"5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY]-TETRAHYDRO-PYRAN-3,4-DIOL; (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",0,,no,C17 H34 N4 O10,454.473,,,,,,,,,,,,,,,,,no,,no,1M4G,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 12:44:08 2011",, chem_comp,chem_comp_308,16612,51719,308,,"(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",non-polymer,,308,no,2008-02-21,2011-06-04,REL,,,,308,,,,,,,,,,,,,,,,,Amantadine,0,,no,C10 H17 N,151.249,,,,,,,,,,,,,,,,,no,,no,3C9J,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:59:34 2011",, chem_comp,chem_comp_ZN,16620,51879,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_PNS,16624,51952,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 15:36:45 2011",, chem_comp,chem_comp_CA,16639,52227,CA,PDB,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_PSU,16654,52530,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_N,16654,52531,N,PDB,ANY 5'-MONOPHOSPHATE NUCLEOTIDE,RNA LINKING,N,N,no,2012-11-20,2012-11-20,REL,,ROB,N,N,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,Corina,no,1G9T,RCSB,,,,, chem_comp,chem_comp_PSU,16655,52554,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_TPO,16659,52686,TPO,,PHOSPHOTHREONINE,L-PEPTIDE LINKING,,TPO,no,1999-07-08,2011-06-04,REL,,,T,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:12:09 2011",, chem_comp,chem_comp_SEP,16659,52687,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:16:58 2011",, chem_comp,chem_comp_X,16659,52688,X,,CYS-MTSL,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DAL,16663,52791,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:26:53 2011",, chem_comp,chem_comp_PLM,16665,52823,PLM,PDB,PALMITIC ACID,NON-POLYMER,PLM,PLM,no,2012-11-20,2012-11-20,REL,,"FAT,PLY",,PLM,50,18,,,,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",,,,,,,,,,,,0,,no,C16 H32 O2,256.424,,,,,,,,,,,,,,,,,no,,no,1LIE,PDBJ,,,,, chem_comp,chem_comp_GDP,16668,52881,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 15:00:07 2011",, chem_comp,chem_comp_GTPgS,16669,52901,,,GTPgS,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CA,16671,52936,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,16674,52988,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_LYR,16678,53063,LYR,,"N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE",L-peptide linking,,LYR,,,,,,,K,LYR,,,,,,,,,,,LYS,,,,,,,0,,no,C26 H42 N2 O2,414.624,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:01:52 2009",, chem_comp,chem_comp_EB4,16682,53143,EB4,,"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)",non-polymer,,EB4,no,2008-04-08,2011-06-04,REL,,,,EB4,,,,,,,,,,,,,,,,,Enterobactin,0,,yes,C30 H27 N3 O15,669.546,,,,,,,,,,,,,,,,,no,,no,3CMP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:09:42 2011",, chem_comp,chem_comp_GA,16682,53144,GA,,GALLIUM (III) ION,non-polymer,,GA,no,1999-07-08,2011-06-04,REL,,,,GA,,,,,,,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:10:48 2011",, chem_comp,chem_comp_VAL,16687,53261,VAL,,VALINE,L-PEPTIDE LINKING,,VAL,no,1999-07-08,2011-06-04,REL,,,V,VAL,,,,,,,,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 14:02:24 2011",, chem_comp,chem_comp_ABA,16707,53696,ABA,,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:34:19 2011",, chem_comp,chem_comp_NH2,25320,126674,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DHA,16707,53698,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,,,,,,,A,DHA,,,,,,,,,,,ALA,,,,,,,0,no,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:45:56 2009",, chem_comp,chem_comp_DBU,16707,53699,DBU,,(2E)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,,DBU,,,,,,,A,DBU,,,,,,,,,,,ALA,,,,,,,0,no,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:42:18 2009",, chem_comp,chem_comp_DAL,16707,53700,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:46:22 2011",, chem_comp,chem_comp_ABA,16709,53733,ABA,,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 12:28:17 2011",, chem_comp,chem_comp_2KT,16709,53734,2KT,,2-KETOBUTYRIC ACID,non-polymer,,2KT,no,2003-12-10,2011-06-04,REL,,,,2KT,,,,,,,,,,,,,,,,,2-OXOBUTANOIC ACID,0,,no,C4 H6 O3,102.089,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:36:57 2011",, chem_comp,chem_comp_DHA,16709,53735,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:43:49 2011",, chem_comp,chem_comp_DBU,16709,53736,DBU,,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,,DBU,no,2004-03-16,2011-06-04,REL,,,T,DBU,,,,,,,,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:45:05 2011",, chem_comp,chem_comp_DAL,16709,53737,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 14:46:22 2011",, chem_comp,chem_comp_ZN,16721,53966,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_TB,16736,54158,TB,,TERBIUM(III) ION,non-polymer,,TB,,,,,,,,TB,,,,,,,,,,,,,,,,,,3,,no,Tb,158.925,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:22:59 2009",, chem_comp,chem_comp_ZN,16740,54249,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CU1,16741,54266,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:36:26 2009",, chem_comp,chem_comp_ZN,16744,54318,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_NAG,16747,54390,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 13:56:36 2011",, chem_comp,chem_comp_SAL,16751,54472,SAL,,2-HYDROXYBENZOIC ACID,non-polymer,,SAL,no,1999-07-08,2011-06-04,REL,,,,SAL,,,,,,,,,,,,,,,,,SALICYLIC ACID,0,,yes,C7 H6 O3,138.121,,,,,,,,,,,,,,,,,no,,no,1FO4,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:13:08 2011",, chem_comp,chem_comp_CU,16757,54582,CU,,COPPER (II) ION,non-polymer,,CU,,,,,,,,CU,,,,,,,,,,,,,,,,,,2,no,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:36:24 2009",, chem_comp,chem_comp_CA,16758,54597,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_PO4,16759,54612,PO4,,PHOSPHATE ION,non-polymer,,PO4,no,1999-07-08,2011-06-04,REL,,IPS,,PO4,,,,,,,,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:25:07 2011",, chem_comp,chem_comp_ATP,16761,54655,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:29:08 2011",, chem_comp,chem_comp_CA,16764,54710,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:34:10 2011",, chem_comp,chem_comp_HAL,16764,54711,HAL,,N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE,non-polymer,,HAL,no,2002-08-29,2011-06-04,REL,,,,HAL,,,,,,,,,,,,,,,,,,0,,yes,C23 H29 N2 O7 P,476.459,,,,,,,,,,,,,,,,,no,,no,1MJ7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:36:20 2011",, chem_comp,chem_comp_MLY,16778,54926,MLY,,N-DIMETHYL-LYSINE,L-peptide linking,,MLY,,,,,,,K,MLY,,,,,,,,,,,LYS,,,,,,,0,no,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:10:45 2009",, chem_comp,chem_comp_FAD,16780,54969,FAD,PDB,FLAVIN-ADENINE DINUCLEOTIDE,non-polymer,,FAD,no,1999-07-08,2011-06-04,REL,,,,FAD,,,,,,,,,,,,,,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,no,,no,1B4V,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:11:59 2011",, chem_comp,chem_comp_HYP,16784,55068,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,,,,,,,P,HYP,,,,,,,,,,,PRO,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:36:58 2009",, chem_comp,chem_comp_GPR,16785,55087,GPR,,"(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE",non-polymer,,GPR,,,,,,,,GPR,,,,,,,,,,,,,,,,,,0,,yes,C24 H27 N3 O7 S,501.552,,,,,,,,,,,,,,,,,no,,no,3GST,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:22:24 2009",, chem_comp,chem_comp_DPN,16786,55106,DPN,,D-PHENYLALANINE,D-PEPTIDE LINKING,,DPN,no,1999-07-08,2011-06-04,REL,,,,DPN,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:21:18 2011",, chem_comp,chem_comp_GPR,16786,55107,GPR,,"(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE",non-polymer,,GPR,no,1999-07-08,2011-06-04,REL,,CYP,,GPR,,,,,,,,,,,,,,,,,,0,,yes,C24 H27 N3 O7 S,501.552,,,,,,,,,,,,,,,,,no,,no,3GST,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:23:19 2011",, chem_comp,chem_comp_ZN,16797,55351,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_FES,16804,55467,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-04-05,2012-04-05,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_MG,16807,55551,MG,,MAGNESIUM ION,non-polymer,,MG,,,,,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009",, chem_comp,chem_comp_ZN,16812,55685,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,16814,55727,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,16815,55747,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_NAP,16822,55894,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,2012-11-20,2012-11-20,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_N22,16822,55895,N22,PDB,"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",NON-POLYMER,N22,N22,no,2012-11-20,2012-11-20,REL,,,,N22,43,23,,,,"InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)",,,,,,,,,,,,0,,yes,C17 H20 N4 O2,312.366,,,,,,,,,,,,,,,,,no,Corina,no,3CSE,RCSB,,,,, chem_comp,chem_comp_NAG,16841,56123,NAG,,N-ACETYL-D-GLUCOSAMINE,D-saccharide,,NAG,,,,,,,,NAG,,,,,,,,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:20:37 2009",, chem_comp,chem_comp_HEM,16842,56145,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,no,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_NI,16849,56259,NI,,NICKEL (II) ION,non-polymer,,NI,,,,,,,,NI,,,,,,,,,,,,,,,,,,2,no,no,Ni,58.693,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:25:25 2009",, chem_comp,chem_comp_2'-OMe-cytidine,16852,56322,MC,,2'-OMe-cytidine,,,MC,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_2'-deoxi-2'-fluoro-uridine,16852,56323,FU,,2'-deoxi-2'-fluoro-uridine,,,FU,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_2'-deoxi-2'-fluoro-cytidine,16852,56324,FC,,2'-deoxi-2'-fluoro-cytidine,,,FC,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_FOL,16852,56325,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_2'-OMe-guanosine,16852,56326,MG,,2'-OMe-guanosine,,,MG,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_2'-deoxi-2'-fluoro-guanosine,16852,56327,FG,,2'-deoxi-2'-fluoro-guanosine,,,FG,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_2'-OMe-uridine,16852,56328,MU,,2'-OMe-uridine,,,MU,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,not applicable,not applicable,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DPC,16853,56349,DPC,,"5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID",non-polymer,,DPC,no,1999-07-08,2011-06-04,REL,,,,DPC,,,,,,,,,,,,,,,,,,0,,yes,C20 H27 N3 O5,389.445,,,,,,,,,,,,,,,,,no,,no,1A4Q,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Sat Nov 12 09:21:06 2011",, chem_comp,chem_comp_ZN,16858,56417,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ALY,16858,56418,ALY,,N(6)-ACETYLLYSINE,L-peptide linking,,ALY,,,,,,,K,ALY,,,,,,,,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:54:56 2009",, chem_comp,chem_comp_ZN,16859,56447,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ALY,16859,56448,ALY,,N(6)-ACETYLLYSINE,L-peptide linking,,ALY,,,,,,,K,ALY,,,,,,,,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:54:56 2009",, chem_comp,chem_comp_PNS,16860,56476,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,,,,,,,,PNS,,,,,,,,,,,,,,,,,,0,no,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:49:32 2009",, chem_comp,chem_comp_ALY,16861,56532,ALY,,N(6)-ACETYLLYSINE,L-peptide linking,,ALY,,,,,,,K,ALY,,,,,,,,,,,LYS,,,,,,,0,no,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:54:56 2009",, chem_comp,chem_comp_CA,16862,56560,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_SAC,16865,56616,SAC,,N-ACETYL-SERINE,L-peptide linking,,SAC,,,,,,,S,SAC,,,,,,,,,,,SER,,,,,,,0,no,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:07:09 2009",, chem_comp,chem_comp_ZN,16865,56617,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ACS,16865,56618,ACS,,1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE,non-polymer,,ACS,,,,,,,,ACS,,,,,,,,,,,,,,,,,,0,no,no,C13 H21 N3 O7 S2,395.452,,,,,,,,,,,,,,,,,no,,no,1QJF,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:49:13 2009",, chem_comp,chem_comp_ZN,16872,56748,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,16878,56862,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_MYR,16888,57053,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Sat Nov 12 10:05:34 2011",, chem_comp,chem_comp_MYR,16889,57072,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 21 12:30:36 2011",, chem_comp,chem_comp_PBU,16889,57073,PBU,,"(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIBUTANOATE",non-polymer,,PBU,no,2006-05-25,2011-06-04,REL,,,,PBU,,,,,,,,,,,,,,,,,,0,,no,C17 H33 O19 P3,634.354,,,,,,,,,,,,,,,,,no,,no,2H3Q,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 21 12:28:49 2011",, chem_comp,chem_comp_HEM,16891,57110,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_IMY,16894,57157,IMY,,"1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE",non-polymer,,IMY,,,,,,,,IMY,,,,,,,,,,,,,,,,,,0,no,yes,C30 H32 Cl2 N4 O3,567.506,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:42:45 2009",, chem_comp,chem_comp_m-5-dip,16916,57560,m-5-dip,,mevalonate 5-diphosphate,NON-POLYMER,,,,,,,,,,,,,,,,,,,,,,,,,,,,3-,no,no,C6H10O10P2,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ACP,16916,57561,ACP,PDB,PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER,NON-POLYMER,ACP,ACP,no,2012-11-20,2012-11-20,REL,,,,ACP,49,31,,,,"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",,,,,,,,,,,"ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE",0,,yes,C11 H18 N5 O12 P3,505.208,,,,,,,,,,,,,,,,,no,,no,1DAH,EBI,,,,, chem_comp,chem_comp_MG,16916,57562,MG,,MAGNESIUM ION,non-polymer,,MG,,,,,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009",, chem_comp,chem_comp_MG,16918,57602,MG,,MAGNESIUM ION,non-polymer,,MG,,,,,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009",, chem_comp,chem_comp_CA,16929,57802,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_RAP,16931,57850,RAP,PDB,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,NON-POLYMER,RAP,RAP,no,2012-11-20,2012-11-20,REL,,,,RAP,144,65,,,,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",,,,,,,,,,,,0,,no,C51 H79 N O13,914.172,,,,,,,,,,,,,,,,,no,,no,1FKL,RCSB,,,,, chem_comp,chem_comp_RAP,16933,57898,RAP,,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,non-polymer,,RAP,,,,,,,,RAP,,,,,,,,,,,,,,,,,,0,,no,C51 H79 N O13,914.172,,,,,,,,,,,,,,,,,no,,no,1FKL,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:59:46 2009",, chem_comp,chem_comp_THY,16936,57977,THY,,C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE,non-polymer,,THY,no,2004-11-30,2011-06-04,REL,,,,THY,,,,,,,,,,,,,,,,,,0,,yes,C17 H28 N4 O8 P2 S,510.439,,,,,,,,,,,,,,,,,no,,yes,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:07:53 2011",, chem_comp,chem_comp_5CM,16936,57978,5CM,,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,,5CM,no,1999-07-08,2011-06-04,REL,,,C,5CM,,,,,,,,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:08:45 2011",, chem_comp,chem_comp_MN,16936,57979,MN,,MANGANESE (II) ION,non-polymer,,MN,no,1999-07-08,2011-06-04,REL,,,,MN,,,,,,,,,,,,,,,,,,2,,no,Mn,54.938,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:11:23 2011",, chem_comp,chem_comp_NA,16940,58040,NA,,SODIUM ION,non-polymer,,NA,,,,,,,,NA,,,,,,,,,,,,,,,,,,1,no,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:20:12 2009",, chem_comp,chem_comp_CHM,16940,58041,CHM,,"1,3-DICHLORO-PROPAN-2-ONE",non-polymer,,CHM,,,,,,,,CHM,,,,,,,,,,,,,,,,,,0,no,no,C3 H4 Cl2 O,126.969,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:27:26 2009",, chem_comp,chem_comp_DPR,16941,58060,DPR,,D-PROLINE,D-PEPTIDE LINKING,,DPR,no,1999-07-08,2011-06-04,REL,,,P,DPR,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:24:14 2011",, chem_comp,chem_comp_CA,16955,58350,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,16956,58366,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,16958,58416,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,18559,89094,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,1697,58682,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,1698,58807,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,16983,58873,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_AOS,16984,58889,AOS,,D-ALLOSE,D-SACCHARIDE,,AOS,,2006-08-25,2011-06-04,REL,,,,AOS,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,2I57,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:57:26 2011",, chem_comp,chem_comp_PCA,1699,58971,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,16994,59033,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,17023,59693,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17024,59715,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ALY,17040,60138,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_NH2,17040,60139,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_TRP,17041,60160,TRP,PDB,TRYPTOPHAN,L-PEPTIDE LINKING,TRP,TRP,no,2012-11-20,2012-11-20,REL,,LTR,W,TRP,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_TRP,17046,60249,TRP,,TRYPTOPHAN,L-peptide linking,,TRP,,,,,,,W,TRP,,,,,,,,,,,,,,,,,,0,no,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:30:54 2009",, chem_comp,chem_comp_TRP,17047,60275,TRP,PDB,TRYPTOPHAN,L-PEPTIDE LINKING,TRP,TRP,no,2012-11-20,2012-11-20,REL,,LTR,W,TRP,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CTO,17052,60345,CTO,,TRIACETYLCHITOTRIOSE,D-saccharide,,CTO,,,,,,,,CTO,,,,,,,,,,,,,,,,,,0,no,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:36:08 2009",, chem_comp,chem_comp_SXX,17054,60382,SXX,,SINAPINATE,non-polymer,,SXX,,,,,,,,SXX,,,,,,,,,,,,,,,,,,0,no,yes,C11 H12 O5,224.210,,,,,,,,,,,,,,,,,no,,no,1WB4,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:20:22 2009",, chem_comp,chem_comp_HLT,17056,60414,HLT,,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",non-polymer,,HLT,,,,,,,,HLT,,,,,,,,,,,,,,,,,,0,no,no,C2 H Br Cl F3,197.382,,,,,,,,,,,,,,,,,no,,no,1E7B,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:31:49 2009",, chem_comp,chem_comp_PLM,17057,60430,PLM,PDB,PALMITIC ACID,NON-POLYMER,PLM,PLM,no,2012-11-20,2012-11-20,REL,,"FAT,PLY",,PLM,50,18,,,,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",,,,,,,,,,,,0,,no,C16 H32 O2,256.424,,,,,,,,,,,,,,,,,no,,no,1LIE,PDBJ,,,,, chem_comp,chem_comp_CYN,17057,60431,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_CE,17058,60446,CE,,CERIUM (III) ION,non-polymer,,CE,,,,,,,,CE,,,,,,,,,,,,,,,,,,3,no,no,Ce,140.116,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:25:09 2009",, chem_comp,chem_comp_CA,17061,60508,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_RET,17064,60564,RET,,RETINAL,non-polymer,,RET,,,,,,,,RET,,,,,,,,,,,,,,,,,,0,no,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,,yes,1OPB,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:01:03 2009 The retinal is covalently bound to the Lys210 of ASR via a Schiff Base",, chem_comp,chem_comp_M3L,17071,60704,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_M3L,17072,60730,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_MG,17078,60844,MG,,MAGNESIUM ION,non-polymer,,MG,,,,,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009",, chem_comp,chem_comp_H2U,17078,60845,H2U,,"5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE",RNA linking,,H2U,,,,,,,U,H2U,,,,,,,,,,,U,,,,,,,0,no,no,C9 H15 N2 O9 P,326.197,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:26:43 2009",, chem_comp,chem_comp_PSU,17078,60846,PSU,,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA linking,,PSU,,,,,,,U,PSU,,,,,,,,,,,U,,,,,,,0,no,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:52:52 2009",, chem_comp,chem_comp_5MU,17078,60847,5MU,,5-METHYLURIDINE 5'-MONOPHOSPHATE,RNA linking,,5MU,,,,,,,U,5MU,,,,,,,,,,,U,,,,,,,0,no,no,C10 H15 N2 O9 P,338.208,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:31:16 2009",, chem_comp,chem_comp_OMG,17078,60848,OMG,,O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA linking,,OMG,,,,,,,G,OMG,,,,,,,,,,,G,,,,,,,0,no,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:34:21 2009",, chem_comp,chem_comp_1MG,17078,60849,1MG,,1N-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA linking,,1MG,,,,,,,G,1MG,,,,,,,,,,,G,,,,,,,0,no,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1YFG,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:01:05 2009",, chem_comp,chem_comp_M3L,17079,60867,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,no,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_PTR,17080,60893,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PSU,17088,61055,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_CD,17091,61129,CD,,CADMIUM ION,non-polymer,,CD,,,,,,,,CD,,,,,,,,,,,,,,,,,,2,no,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:24:26 2009",, chem_comp,chem_comp_TSA,17093,61171,TSA,PDB,"8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID",NON-POLYMER,TSA,TSA,no,2012-11-20,2012-11-20,REL,,BAR,,TSA,28,16,,,,"InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1",,,,,,,,,,,,0,,no,C10 H12 O6,228.199,,,,,,,,,,,,,,,,,no,,no,1ECM,EBI,,,,, chem_comp,chem_comp_BRN,17094,61191,BRN,,BERENIL,non-polymer,,BRN,,,,,,,,BRN,,,,,,,,,,,,,,,,,,0,no,yes,C14 H15 N7,281.316,,,,,,,,,,,,,,,,,no,,no,1D63,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:15:10 2009",, chem_comp,chem_comp_IMD,17097,61246,IMD,,IMIDAZOLE,non-polymer,,IMD,,,,,,,,IMD,,,,,,,,,,,,,,,,,,1,no,yes,C3 H5 N2,69.085,,,,,,,,,,,,,,,,,no,,no,1MUN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:42:19 2009",, chem_comp,chem_comp_2MZ,17097,61247,2MZ,,2-METHYLIMIDAZOLE,non-polymer,,2MZ,,,,,,,,2MZ,,,,,,,,,,,,,,,,,,0,no,yes,C4 H6 N2,82.104,,,,,,,,,,,,,,,,,no,,no,1AEU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:11:01 2009",, chem_comp,chem_comp_ATP,17098,61263,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,,,,,,,,ATP,,,,,,,,,,,,,,,,,,0,no,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:00:26 2009",, chem_comp,chem_comp_EDT,17099,61280,EDT,PDB,{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID,NON-POLYMER,EDT,EDT,no,2012-11-20,2012-11-20,REL,,,,EDT,36,20,,,,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",,,,,,,,,,,,0,,no,C10 H16 N2 O8,292.243,,,,,,,,,,,,,,,,,no,,no,1NNF,RCSB,,,,, chem_comp,chem_comp_PTR,17100,61323,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:58:46 2011",, chem_comp,chem_comp_CTO,17101,61338,CTO,,TRIACETYLCHITOTRIOSE,D-SACCHARIDE,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 21 16:44:10 2011",, chem_comp,chem_comp_CA,17102,61356,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 14:13:47 2011",, chem_comp,chem_comp_CA,17103,61376,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 14:13:47 2011",, chem_comp,chem_comp_dfbp-o,17103,61377,dfbp-o,,"2',4'-difluoro (1,1'-biphenyl)-4-yloxy acetic acid",non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,C14 H9 O3 2F,197.239,,,,,dfbp-o_pub.png,png,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PRF,17106,61431,PRF,,7-DEAZA-7-AMINOMETHYL-GUANINE,non-polymer,,PRF,,,,,,,,PRF,,,,,,,,,,,,,,,,,,0,no,yes,C7 H9 N5 O,179.179,,,,,,,,,,,,,,,,,no,,no,1EFZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:51:40 2009",, chem_comp,chem_comp_ZN,25485,129533,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,17107,61457,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2009-01-07,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:41:21 2009",, chem_comp,chem_comp_ZN,17112,61541,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17113,61560,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_OPY,17116,61610,OPY,,"(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine",non-polymer,,OPY,no,2010-05-17,2011-06-04,REL,,,,OPY,,,,,,,,,,,,,,,,,GSK237826A,0,,no,C9 H19 N3 O,185.267,,,,,,,,,,,,,,,,,no,,no,3N0T,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:22:58 2011",, chem_comp,chem_comp_ZN,17118,61627,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:37:35 2011",, chem_comp,chem_comp_ZN,18570,89331,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_1MZ,17120,61674,1MZ,,1-METHYLIMIDAZOLE,non-polymer,,1MZ,no,1999-07-08,2011-06-04,REL,,,,1MZ,,,,,,,,,,,,,,,,,,1,,yes,C4 H7 N2,83.112,,,,,,,,,,,,,,,,,no,,no,1DUO,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:42:15 2011",, chem_comp,chem_comp_FTR,17122,61706,FTR,PDB,FLUOROTRYPTOPHANE,L-peptide linking,,FTR,,,,,,,W,FTR,,,,,,,,,,,TRP,,,,,,,0,no,yes,C11 H11 F N2 O2,222.216,,,,,,,,,,,,,,,,,no,,no,5FWG,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:11:36 2009",, chem_comp,chem_comp_G3P,17122,61707,G3P,PDB,SN-GLYCEROL-3-PHOSPHATE,non-polymer,,G3P,no,1999-07-08,2011-06-04,REL,,,,G3P,,,,,,,,,,,,,,,,,,0,,no,C3 H9 O6 P,172.074,,,,,,,,,,,,,,,,,no,,no,2TSY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:50:38 2011",, chem_comp,chem_comp_CA,17123,61728,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:58:18 2011",, chem_comp,chem_comp_ZN,17130,61893,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17133,61953,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_HEM,17144,62113,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_HEM,17146,62151,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,,,,,,,,HEM,,,,,,,,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,yes,1A6M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009",, chem_comp,chem_comp_F191,17151,62275,F191,,1-{[(4-methylphenyl)thio]acetyl}piperidine,non-polymer,,2l2s,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C14H19SNO,331.279,,,,,ligand_f1019.png,png,,,,,,,,,,,,,,,,,,Cc2ccc(SCC(=O)N1CCCCC1)cc2,, chem_comp,chem_comp_QUA,17153,62308,QUA,,8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID,non-polymer,,QUA,no,2000-11-02,2011-06-04,REL,,,,QUA,,,,,,,,,,,,,,,,,,0,,yes,C12 H13 N O4,235.236,,,,,,,,,,,,,,,,,yes,,no,1E9W,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:25:30 2012",, chem_comp,chem_comp_DHA,17153,62309,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:26:36 2012",, chem_comp,chem_comp_BB9,17153,62310,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-04-05,2012-04-05,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_DBU,17153,62311,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-04-05,2012-04-05,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DCY,17153,62312,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-04-05,2012-04-05,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_TS9,17153,62313,TS9,PDB,"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid",L-PEPTIDE LINKING,TS9,TS9,no,2012-04-05,2012-04-05,REL,,,,TS9,24,11,,,,"InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1",,,,,ILE,,,,,,,0,,no,C6 H13 N O4,163.172,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_MH6,17153,62314,MH6,PDB,3-hydroxy-2-iminopropanoic acid,PEPTIDE LINKING,MH6,MH6,no,2012-04-05,2012-04-05,REL,,,,MH6,12,7,,,,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+",,,,,SER,,,,,,,0,,no,C3 H5 N O3,103.077,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_NH2,17153,62315,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_QUA,17154,62333,QUA,PDB,8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID,non-polymer,,QUA,no,2000-11-02,2011-06-04,REL,,,,QUA,,,,,,,,,,,,,,,,,,0,,yes,C12 H13 N O4,235.236,,,,,,,,,,,,,,,,,yes,,no,1E9W,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:25:30 2012",, chem_comp,chem_comp_DHA,17154,62334,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:26:36 2012",, chem_comp,chem_comp_ACE,25321,126692,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_BB9,17154,62335,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-04-05,2012-04-05,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_DBU,17154,62336,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-04-05,2012-04-05,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DCY,17154,62337,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-04-05,2012-04-05,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_TS9,17154,62338,TS9,PDB,"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid",L-PEPTIDE LINKING,TS9,TS9,no,2012-04-05,2012-04-05,REL,,,,TS9,24,11,,,,"InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1",,,,,ILE,,,,,,,0,,no,C6 H13 N O4,163.172,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_MH6,17154,62339,MH6,PDB,3-hydroxy-2-iminopropanoic acid,PEPTIDE LINKING,MH6,MH6,no,2012-04-05,2012-04-05,REL,,,,MH6,12,7,,,,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+",,,,,SER,,,,,,,0,,no,C3 H5 N O3,103.077,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_NH2,17154,62340,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_LAT,17184,62938,LAT,,BETA-LACTOSE,SACCHARIDE,,LAT,no,1999-07-08,2011-06-04,REL,,,,LAT,,,,,,,,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:17:50 2012",, chem_comp,chem_comp_QUA,17155,62358,QUA,PDB,8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID,non-polymer,,QUA,no,2000-11-02,2011-06-04,REL,,,,QUA,,,,,,,,,,,,,,,,,,0,,yes,C12 H13 N O4,235.236,,,,,,,,,,,,,,,,,yes,,no,1E9W,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:25:30 2012",, chem_comp,chem_comp_DHA,17155,62359,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:26:36 2012",, chem_comp,chem_comp_BB9,17155,62360,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-04-05,2012-04-05,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_DBU,17155,62361,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-04-05,2012-04-05,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DCY,17155,62362,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-04-05,2012-04-05,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_TS9,17155,62363,TS9,PDB,"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid",L-PEPTIDE LINKING,TS9,TS9,no,2012-04-05,2012-04-05,REL,,,,TS9,24,11,,,,"InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1",,,,,ILE,,,,,,,0,,no,C6 H13 N O4,163.172,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_MH6,17155,62364,MH6,PDB,3-hydroxy-2-iminopropanoic acid,PEPTIDE LINKING,MH6,MH6,no,2012-04-05,2012-04-05,REL,,,,MH6,12,7,,,,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+",,,,,SER,,,,,,,0,,no,C3 H5 N O3,103.077,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_NH2,17155,62365,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_QUA,17156,62383,QUA,PDB,8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID,non-polymer,,QUA,no,2000-11-02,2011-06-04,REL,,,,QUA,,,,,,,,,,,,,,,,,,0,,yes,C12 H13 N O4,235.236,,,,,,,,,,,,,,,,,yes,,no,1E9W,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:25:30 2012",, chem_comp,chem_comp_DHA,17156,62384,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 15:26:36 2012",, chem_comp,chem_comp_BB9,17156,62385,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-04-05,2012-04-05,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_DBU,17156,62386,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-04-05,2012-04-05,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DCY,17156,62387,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-04-05,2012-04-05,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_TS9,17156,62388,TS9,PDB,"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid",L-PEPTIDE LINKING,TS9,TS9,no,2012-04-05,2012-04-05,REL,,,,TS9,24,11,,,,"InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1",,,,,ILE,,,,,,,0,,no,C6 H13 N O4,163.172,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_MH6,17156,62389,MH6,PDB,3-hydroxy-2-iminopropanoic acid,PEPTIDE LINKING,MH6,MH6,no,2012-04-05,2012-04-05,REL,,,,MH6,12,7,,,,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+",,,,,SER,,,,,,,0,,no,C3 H5 N O3,103.077,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_NH2,17156,62390,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,17157,62409,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17158,62428,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_GYC,17162,62506,GYC,,"[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID",L-PEPTIDE LINKING,,GYC,no,2006-05-30,2011-07-19,REL,,,CYG,GYC,,,,,,,,,,,"CYS, TYR, GLY",,,,,,CHROMOPHORE (CYS-TYR-GLY),0,,yes,C14 H15 N3 O4 S,321.352,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 5 16:09:00 2012",, chem_comp,chem_comp_GYC,17163,62522,GYC,,"[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID",L-PEPTIDE LINKING,,GYC,no,2006-05-30,2012-01-05,REL,,,,GYC,,,,,,,,,,,"CYS, TYR, GLY",,,,,,CHROMOPHORE (CYS-TYR-GLY),0,,yes,C14 H15 N3 O4 S,321.352,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jan 9 14:27:16 2012",, chem_comp,chem_comp_TEP,17180,62870,TEP,PDB,THEOPHYLLINE,NON-POLYMER,TEP,TEP,no,2012-11-20,2012-11-20,REL,,,,TEP,21,13,,,,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",,,,,,,,,,,,0,,yes,C7 H8 N4 O2,180.164,,,,,,,,,,,,,,,,,no,,no,1EHT,PDBJ,,,,, chem_comp,chem_comp_ARA,17182,62906,ARA,,ALPHA-L-ARABINOSE,D-SACCHARIDE,,ARA,no,1999-07-08,2011-06-04,REL,,,,ARA,,,,,,,,,,,,,,,,,,0,,no,C5 H10 O5,150.130,,,,,,,,,,,,,,,,,no,,no,6ABP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:06:10 2012",, chem_comp,chem_comp_MG,17183,62922,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:12:08 2012",, chem_comp,chem_comp_GNP,17183,62923,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2011-06-04,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:13:01 2012",, chem_comp,chem_comp_DPN,17185,62956,DPN,,D-PHENYLALANINE,D-PEPTIDE LINKING,,DPN,no,1999-07-08,2011-06-04,REL,,,,DPN,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:29:43 2012",, chem_comp,chem_comp_CU,17186,62973,CU,,COPPER (II) ION,non-polymer,,CU,,,,,,,,CU,,,,,,,,,,,,,,,,,,2,no,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:36:24 2009",, chem_comp,chem_comp_HEC,1719,63049,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1719,63050,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,1720,63247,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1720,63248,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_M3L,17200,63263,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_ADP,17208,63432,ADP,,ADENOSINE-5'-DIPHOSPHATE,non-polymer,,ADP,no,1999-07-08,2011-06-04,REL,,,,ADP,,,,,,,,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:38:50 2011",, chem_comp,chem_comp_MG,17208,63433,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:07 2011",, chem_comp,chem_comp_PO4,17208,63434,PO4,,PHOSPHATE ION,non-polymer,,PO4,no,1999-07-08,2011-06-04,REL,,IPS,,PO4,,,,,,,,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:32 2011",, chem_comp,chem_comp_ATP,17210,63478,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 13:35:56 2011",, chem_comp,chem_comp_AGS,17210,63479,AGS,,PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER,non-polymer,,AGS,no,1999-07-08,2011-06-04,REL,,,,AGS,,,,,,,,,,,,,,,,,ATP GAMMA-S,0,,yes,C10 H16 N5 O12 P3 S,523.247,,,,,,,,,,,,,,,,,no,,no,1MMG,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 13:36:40 2011",, chem_comp,chem_comp_MG,17210,63480,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:07 2011",, chem_comp,chem_comp_5AT,17217,63602,5AT,,5'-AMINO-5'-DEOXYTHYMIDINE,DNA linking,,5AT,,,,,,,T,5AT,,,,,,,,,,,DT,,,,,,,0,no,no,C10 H15 N3 O4,241.244,,,,,,,,,,,,,,,,,no,,no,1C95,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:29:40 2009",, chem_comp,chem_comp_SIN,17218,63619,SIN,,SUCCINIC ACID,non-polymer,,SIN,no,1999-07-08,2011-06-04,REL,,,,SIN,,,,,,,,,,,,,,,,,,0,,no,C4 H6 O4,118.088,,,,,,,,,,,,,,,,,no,,no,3BIF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 14:08:13 2011",, chem_comp,chem_comp_NIT,17218,63620,NIT,,4-NITROANILINE,non-polymer,,NIT,no,1999-07-08,2011-06-04,REL,,,X,NIT,,,,,,,,,,,,,,,,,PARANITROANILINE,0,,yes,C6 H6 N2 O2,138.124,,,,,,,,,,,,,,,,,no,,no,1PIP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 14:08:59 2011",, chem_comp,chem_comp_RNS,17219,63636,RNS,,L-RHAMNOSE,L-SACCHARIDE,,RNS,no,1999-11-19,2011-06-04,REL,,,,RNS,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1DE6,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 14:16:28 2011",, chem_comp,chem_comp_K,17379,66677,K,,POTASSIUM ION,non-polymer,,K,no,1999-07-08,2011-06-04,REL,,,,K,,,,,,,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:05:05 2011",, chem_comp,chem_comp_GCH,17220,63664,GCH,PDB,GLYCOCHOLIC ACID,NON-POLYMER,GCH,GCH,no,2012-11-20,2012-11-20,REL,,,,GCH,76,33,,,,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,,, chem_comp,chem_comp_YOF,17222,63693,YOF,PDB,3-FLUOROTYROSINE,L-PEPTIDE LINKING,YOF,YOF,no,2012-11-20,2012-11-20,REL,,,Y,YOF,24,14,,,,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H10 F N O3,199.179,,,,,,,,,,,,,,,,,no,,no,3FYG,RCSB,,,,, chem_comp,chem_comp_FE,17226,63767,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2008-12-05,REL,,,,FE,,,,,,,,,,,,,,,,,,3,no,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:05:09 2009",, chem_comp,chem_comp_CYN,17226,63768,CYN,,CYANIDE ION,non-polymer,,CYN,no,1999-07-08,2008-12-05,REL,,CN,,CYN,,,,,,,,,,,,,,,,,,-1,no,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:37:52 2009",, chem_comp,chem_comp_ZN,17228,63822,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17229,63841,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ZN,17232,63886,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_FE,17236,63965,FE,PDB,FE (III) ION,NON-POLYMER,FE,FE,no,2012-11-20,2012-11-20,REL,,,,FE,1,1,,,,InChI=1S/Fe/q+3,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,17236,63966,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,17243,64117,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_EGC,17243,64118,EGC,,"2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL",non-polymer,,EGC,,,,,,,,EGC,,,,,,,,,,,,,,,,,,0,no,yes,C32 H58 O10,602.797,,,,,,,,,,,,,,,,,yes,,no,1JP3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:57:13 2009",, chem_comp,chem_comp_ZN,17244,64135,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CA,17249,64220,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CY1,17252,64283,CY1,PDB,ACETAMIDOMETHYLCYSTEINE,L-PEPTIDE LINKING,CY1,CY1,no,1999-10-12,2011-12-14,REL,,,C,CY1,24,12,,,,"InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1",,,,,CYS,,,,,,,0,,no,C6 H12 N2 O3 S,192.236,,,,,,,,,,,,,,,,,no,,no,1D5M,RCSB,,,,, chem_comp,chem_comp_CA,17262,64464,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,17265,64540,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_ALY,17270,64641,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2000-08-18,2011-12-14,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_CYT,17273,64703,CYT,,6-AMINOPYRIMIDIN-2(1H)-ONE,non-polymer,,CYT,,,,,,,,CYT,,,,,,,,,,,,,,,,,,0,no,yes,C4 H5 N3 O,111.102,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:38:00 2009",, chem_comp,chem_comp_ZN,17285,64961,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CA,17289,65032,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,17293,65129,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_CD,17294,65150,CD,,CADMIUM ION,non-polymer,,CD,,,,,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:24:26 2009",, chem_comp,chem_comp_ZN,17295,65170,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_MK8,17307,65390,MK8,,2-METHYL-L-NORLEUCINE,L-peptide linking,,MK8,,,,,,,L,MK8,,,,,,,,,,,,,,,,,,0,no,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:49:29 2009",, chem_comp,chem_comp_QUI,17379,66676,QUI,,2-CARBOXYQUINOXALINE,non-polymer,,QUI,no,1999-07-08,2011-06-04,REL,,QX,,QUI,,,,,,,,,,,,,,,,,,0,,yes,C9 H6 N2 O2,174.156,,,,,,,,,,,,,,,,,no,,no,2DA8,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:04:28 2011",, chem_comp,chem_comp_TRR,17310,65454,TRR,,"2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM",non-polymer,,TRR,no,2002-05-27,2011-06-04,REL,,,,TRR,,,,,,,,,,,,,,,,,,1,,yes,C14 H19 N4 O3,291.326,,,,,,,,,,,,,,,,,no,,no,1LUD,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Dec 6 13:20:35 2011",, chem_comp,chem_comp_NDP,17311,65478,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_ZN,17315,65559,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_LYR,17327,65770,LYR,PDB,"N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE",L-PEPTIDE LINKING,LYR,LYR,no,2012-11-20,2012-11-20,REL,,,K,LYR,72,30,,,,"InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1",,,,,LYS,,,,,,,0,,no,C26 H42 N2 O2,414.624,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_MG,17328,65793,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Dec 6 14:03:51 2011",, chem_comp,chem_comp_CA,17329,65813,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,17334,65901,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,17338,65916,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_HEC,1734,65955,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_MPTP,17341,65985,MPTP,,MPTP,,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,,yes,C12 H15 N,173.25,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_M3L,17344,66018,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,,,,,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009",, chem_comp,chem_comp_ZN,17344,66019,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 1 13:17:26 2011",, chem_comp,chem_comp_CA,17353,66159,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_CA,17354,66177,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Dec 6 14:46:49 2011",, chem_comp,chem_comp_AAC,1736,66298,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1736,66299,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,17360,66315,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009",, chem_comp,chem_comp_ZN,17365,66421,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 7 15:54:02 2011",, chem_comp,chem_comp_ACE,17369,66472,ACE,,ACETYL GROUP,non-polymer,,ACE,,,,,,,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:48:52 2009",, chem_comp,chem_comp_PTR,17369,66473,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,,,,,,,Y,PTR,,,,,,,,,,,TYR,,,,,,,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:53:47 2009",, chem_comp,chem_comp_NH2,17369,66474,NH2,,AMINO GROUP,non-polymer,,NH2,,,,,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:24:50 2009",, chem_comp,chem_comp_MCL,17378,66655,MCL,,NZ-(1-CARBOXYETHYL)-LYSINE,L-PEPTIDE LINKING,,MCL,no,2003-09-23,2011-06-04,REL,,,K,MCL,,,,,,,,,,,LYS,,,,,,,0,,no,C9 H18 N2 O4,218.250,,,,,,,,,,,,,,,,,yes,,no,1O5K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 10:49:18 2011",, chem_comp,chem_comp_CEL,17378,66656,CEL,,4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE,non-polymer,,CEL,no,2003-03-20,2011-06-04,REL,,,,CEL,,,,,,,,,,,,,,,,,CELECOXIB,0,,yes,C17 H14 F3 N3 O2 S,381.372,,,,,,,,,,,,,,,,,no,,no,1OQ5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 10:56:51 2011",, chem_comp,chem_comp_ZN,17380,66694,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_ZN,17383,66744,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_STI,17384,66765,STI,,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,non-polymer,,STI,,,,,,,,STI,,,,,,,,,,,,,,,,,,0,,yes,C29 H31 N7 O,493.603,,,,,,,,,,,,,,,,,no,,no,1IEP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:18:47 2009",, chem_comp,chem_comp_ZN,17385,66795,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_ZN,17386,66813,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_MG,18572,89374,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-04-05,2012-04-05,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,17387,66831,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_HEC,1739,66910,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_J28,17392,66978,J28,,"5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid",non-polymer,,J28,no,2011-01-05,2011-06-04,REL,,,,J28,,,,,,,,,,,,,,,,,,0,,yes,C15 H17 N3 O4 S,335.378,,,,,,,,,,,,,,,,,no,,no,2L84,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:22:21 2011",, chem_comp,chem_comp_L85,17393,67006,L85,,4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid,non-polymer,,L85,no,2011-01-10,2011-06-04,REL,,,,L85,,,,,,,,,,,,,,,,,,0,,yes,C12 H10 N2 O4 S,278.284,,,,,,,,,,,,,,,,,no,,no,3L85,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 12:36:02 2011",, chem_comp,chem_comp_TYS,17395,67052,TYS,,O-SULFO-L-TYROSINE,L-PEPTIDE LINKING,,TYS,no,1999-07-08,2011-06-04,REL,,STY,Y,TYS,,,,,,,,,,,TYR,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 13:16:12 2011",, chem_comp,chem_comp_ZN,17396,67070,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011",, chem_comp,chem_comp_ARG,17408,67301,ARG,,ARGININE,L-peptide linking,,ARG,no,1999-07-08,2008-10-15,REL,,,R,ARG,,,,,,,,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 17 14:03:25 2011",, chem_comp,chem_comp_L8H,17408,67302,L8H,,4-methoxynaphthalen-2-amine,non-polymer,,L8H,no,2011-01-24,2011-02-07,HOLD,,,,L8H,,,,,,,,,,,,,,,,,,0,,yes,C11 H11 N O,173.211,,,,,,,,,,,,,,,,,no,,no,3L8H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 17 14:26:53 2011",, chem_comp,chem_comp_TAL,17409,67322,TAL,,9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE,RNA LINKING,,TAL,no,2003-04-03,2011-06-04,REL,,,N,TAL,,,,,,,,,,,,,,,,,,0,NO,yes,C12 H16 N4 O4,280.280,,,,,,,,,,,,,,,,,no,,no,1OUM,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 14 10:13:41 2011",, chem_comp,chem_comp_TRP,17413,67403,TRP,,TRYPTOPHAN,L-peptide linking,,TRP,no,1999-07-08,2008-12-05,REL,,LTR,W,TRP,,,,,,,,,,,,,,,,,,0,no,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 20 13:51:36 2011",, chem_comp,chem_comp_HEM,17415,67436,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 12:38:22 2011",, chem_comp,chem_comp_CAM,17415,67437,CAM,,CAM,non-polymer,,CAM,no,1999-07-08,2008-10-14,REL,,,,CAM,,,,,,,,,,,,,,,,,,0,,no,C10 H16 O,152.233,,,,,,,,,,,,,,,,,no,,no,6CP4,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 12:46:41 2011",, chem_comp,chem_comp_C90,17416,67457,C90,,"N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",non-polymer,,C90,,2007-08-16,2008-10-14,REL,,,,C90,,,,,,,,,,,,,,,,,,0,no,yes,C24 H27 N3 O5,437.488,,,,,,,,,,,,,,,,,no,,no,2JT2,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 20 13:37:29 2011",, chem_comp,chem_comp_APR,17421,67548,APR,,ADENOSINE-5-DIPHOSPHORIBOSE,non-polymer,,APR,no,1999-07-08,2008-10-14,REL,,,,APR,,,,,,,,,,,,,,,,,,0,,yes,C15 H23 N5 O14 P2,559.316,,,,,,,,,,,,,,,,,no,,no,1G9Q,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 11:58:47 2011",, chem_comp,chem_comp_L8P,17422,67569,L8P,,({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid,non-polymer,,L8P,no,2011-02-01,2011-02-01,HOLD,,,,L8P,,,,,,,,,,,,,,,,,Cidofovir,0,no,no,C8 H14 N3 O6 P,279.187,,,,,,,,,,,,,,,,,no,,no,2L8P,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 8 15:02:31 2011",, chem_comp,chem_comp_MYR,17432,67778,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2008-12-05,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,no,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 14:19:04 2011",, chem_comp,chem_comp_ZN,18195,82324,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_L94,17436,67836,L94,,"N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium",non-polymer,,L94,no,2011-02-09,2011-02-09,HOLD,,,,L94,,,,,,,,,,,,,,,,,,4,no,yes,C18 H36 N6,336.519,,,,,,,,,,,,,,,,,no,,no,2L94,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 14:36:31 2011",, chem_comp,chem_comp_STL,17440,67935,STL,,RESVERATROL,non-polymer,,STL,no,1999-07-08,2008-10-14,REL,,,,STL,,,,,,,,,,,,,,,,,,0,no,yes,C14 H12 O3,228.243,,,,,,,,,,,,,,,,,no,,no,1CGZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 11 11:45:05 2011",, chem_comp,chem_comp_CA,17440,67936,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 11 11:43:37 2011",, chem_comp,chem_comp_70U,17449,68099,70U,,5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE,RNA linking,,70U,no,2000-08-08,2009-01-07,REL,,,U,70U,,,,,,,,,,,U,,,,,,,0,,no,C12 H17 N2 O10 P S,412.310,,,,,,,,,,,,,,,,,no,,no,1FIR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 12:40:34 2011",, chem_comp,chem_comp_12A,17449,68100,12A,,2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE,RNA linking,,12A,no,2000-08-09,2009-01-07,REL,,,A,12A,,,,,,,,,,,A,,,,,,,0,,yes,C16 H23 N6 O11 P S,538.426,,,,,,,,,,,,,,,,,no,,no,1FIR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 12:41:56 2011",, chem_comp,chem_comp_CA,18573,89394,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,17456,68245,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 11 13:48:20 2011",, chem_comp,chem_comp_HEM,17457,68265,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,no,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 11:34:07 2011",, chem_comp,chem_comp_ACE,17458,68281,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 16:02:41 2011",, chem_comp,chem_comp_IBS,17459,68297,IBS,,"L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE",non-polymer,,IBS,no,2001-03-12,2008-10-14,REL,,,,IBS,,,,,,,,,,,,,,,,,,0,no,no,C9 H19 O17 P3,492.158,,,,,,,,,,,,,,,,,no,,no,1I7E,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 15:04:47 2011",, chem_comp,chem_comp_CA,17462,68352,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 16:48:12 2011",, chem_comp,chem_comp_NTS,17464,68391,NTS,,NAPHTHALENE TRISULFONATE,non-polymer,,NTS,no,1999-07-08,2008-10-14,REL,,,,NTS,,,,,,,,,,,,,,,,,,-3,no,yes,C10 H5 O9 S3,365.336,,,,,,,,,,,,,,,,,no,,no,1RML,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 17:27:39 2011",, chem_comp,chem_comp_ZN,17466,68420,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 11 16:22:58 2011",, chem_comp,chem_comp_HYP,17470,68489,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2009-01-07,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,no,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 17 15:47:32 2011",, chem_comp,chem_comp_DTH,17492,68879,DTH,,D-THREONINE,D-peptide linking,,DTH,no,1999-07-08,2009-01-07,REL,,,T,DTH,,,,,,,,,,,,,,,,,,0,no,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 10:29:09 2011",, chem_comp,chem_comp_ZN,17494,68920,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 11:03:10 2011",, chem_comp,chem_comp_DTY,17495,68939,DTY,,D-TYROSINE,D-peptide linking,,DTY,no,1999-07-08,2009-01-07,REL,,,Y,DTY,,,,,,,,,,,,,,,,,,0,no,yes,C9 H11 N O3,181.189,,,,,,,,,,,,,,,,,yes,,no,1UNO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 13:57:42 2011",, chem_comp,chem_comp_C2E,17496,68957,C2E,,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",non-polymer,,C2E,no,2007-10-15,2009-09-23,REL,,,,C2E,,,,,,,,,,,,,,,,,"c-di-GMP, Cyclic diguanosine monophosphate",0,no,yes,C20 H24 N10 O14 P2,690.411,,,,,,,,,,,,,,,,,no,,no,2RDE,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Mar 1 13:58:14 2011",, chem_comp,chem_comp_NH2,17500,69031,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 23 12:59:18 2011",, chem_comp,chem_comp_AYA,1751,69238,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_PO4,17510,69253,PO4,PDB,PHOSPHATE ION,NON-POLYMER,PO4,PO4,no,2012-11-20,2012-11-20,REL,,IPS,,PO4,5,5,,,,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,,, chem_comp,chem_comp_PSU,17517,69369,PSU,,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA linking,,PSU,no,1999-07-08,2009-01-07,REL,,,U,PSU,,,,,,,,,,,U,,,,,,,0,no,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 11:51:04 2011",, chem_comp,chem_comp_FUC,17527,69566,FUC,,ALPHA-L-FUCOSE,saccharide,,FUC,no,1999-07-08,2008-10-14,REL,,,,FUC,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Mar 25 13:39:45 2011",, chem_comp,chem_comp_SEP,17529,69600,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2009-01-07,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Mar 31 10:24:37 2011",, chem_comp,chem_comp_CA,17532,69667,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Apr 4 12:14:38 2011",, chem_comp,chem_comp_HYP,17533,69685,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2009-01-07,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Mar 31 11:02:07 2011",, chem_comp,chem_comp_BGR,17535,69729,BGR,,"[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide",non-polymer,,BGR,no,2011-04-13,2011-04-14,HOLD,,,,BGR,,,,,,,,,,,,,,,,,,-1,,yes,C10 H16 B N5 O6 P,344.049,,,,,,,,,,,,,,,,,no,,no,2LAR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 10:17:24 2011",, chem_comp,chem_comp_TPO,17539,69808,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,no,1999-07-08,2009-01-07,REL,,,T,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,no,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 13 15:31:49 2011",, chem_comp,chem_comp_PCA,18784,93433,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-04-05,2012-04-05,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,no,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,17539,69809,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2009-01-07,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 13 15:33:49 2011",, chem_comp,chem_comp_SEP,17541,69850,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2009-01-07,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:09:27 2011",, chem_comp,chem_comp_SEP,17542,69871,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2009-01-07,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:27:32 2011",, chem_comp,chem_comp_TPO,17544,69912,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,no,1999-07-08,2009-01-07,REL,,,T,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,no,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 10:52:54 2011",, chem_comp,chem_comp_TPO,17545,69933,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,no,1999-07-08,2009-01-07,REL,,,T,TPO,,,,,,,,,,,THR,,,,,,PHOSPHONOTHREONINE,0,no,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:11:22 2011",, chem_comp,chem_comp_CYC,17546,69953,CYC,,PHYCOCYANOBILIN,non-polymer,,CYC,no,1999-07-08,2008-10-14,REL,,,,CYC,,,,,,,,,,,,,,,,,,0,no,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,,no,1CPC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 12:21:20 2011",, chem_comp,chem_comp_CHO,17551,70020,CHO,,GLYCOCHENODEOXYCHOLIC ACID,D-saccharide,,CHO,no,1999-07-08,2008-10-14,REL,,,,CHO,,,,,,,,,,,,,,,,,,0,no,no,C26 H43 N O5,449.623,,,,,,,,,,,,,,,,,yes,,no,1FMC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 12:56:24 2011",, chem_comp,chem_comp_DPV,17558,70148,DPV,,dodecyl 2-(trimethylammonio)ethyl phosphate,non-polymer,,DPV,no,2009-12-09,2010-02-26,REL,,,,DPV,,,,,,,,,,,,,,,,,dodecylphosphocholine,0,no,no,C17 H38 N O4 P,351.462,,,,,,,,,,,,,,,,,no,,no,3KYQ,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 13:13:19 2011",, chem_comp,chem_comp_HNE,17562,70241,HNE,,"(2E,4R)-4-HYDROXYNON-2-ENAL",non-polymer,,HNE,,2006-08-22,2008-10-14,REL,,,,HNE,,,,,,,,,,,,,,,,,,0,no,no,C9 H16 O2,156.224,,,,,,,,,,,,,,,,,no,,no,2J3K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 27 10:49:25 2011",, chem_comp,chem_comp_ZN,17569,70358,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:52:58 2011",, chem_comp,chem_comp_M3L,17569,70359,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,no,1999-07-08,2009-01-07,REL,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:54:40 2011",, chem_comp,chem_comp_6IA,17572,70428,6IA,,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,RNA linking,,6IA,no,2001-01-19,2009-01-07,REL,,,A,6IA,,,,,,,,,,,A,,,,,,,0,no,yes,C15 H24 N5 O7 P,417.354,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 15:04:03 2011",, chem_comp,chem_comp_6IA,17573,70447,6IA,,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,RNA linking,,6IA,no,2001-01-19,2009-01-07,REL,,,A,6IA,,,,,,,,,,,A,,,,,,,0,no,yes,C15 H24 N5 O7 P,417.354,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 15:04:03 2011",, chem_comp,chem_comp_PSU,17573,70448,PSU,,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA linking,,PSU,no,1999-07-08,2009-01-07,REL,,,U,PSU,,,,,,,,,,,U,,,,,,,0,no,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 11:51:04 2011",, chem_comp,chem_comp_EB4,17577,70528,EB4,,"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)",non-polymer,,EB4,no,2008-04-08,2009-05-08,REL,,,,EB4,,,,,,,,,,,,,,,,,Enterobactin,0,,yes,C30 H27 N3 O15,669.554,,,,,,,,,,,,,,,,,no,,no,3CMP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:09:00 2011",, chem_comp,chem_comp_GA,17577,70529,GA,,GALLIUM (III) ION,non-polymer,,GA,no,1999-07-08,2008-10-14,REL,,,,GA,,,,,,,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:15:08 2011",, chem_comp,chem_comp_ACD,17577,70530,ACD,,ARACHIDONIC ACID,non-polymer,,ACD,no,1999-07-08,2008-10-14,REL,,,,ACD,,,,,,,,,,,,,,,,,,0,,no,C20 H32 O2,304.472,,,,,,,,,,,,,,,,,no,,no,1ADL,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:30:06 2011",, chem_comp,chem_comp_PCA,17581,70605,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2009-01-07,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 14:32:33 2011",, chem_comp,chem_comp_DSG,17583,70644,DSG,,D-ASPARAGINE,D-peptide linking,,DSG,no,2004-06-28,2009-01-07,REL,,,N,DSG,,,,,,,,,,,,,,,,,,0,no,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 13 13:41:02 2011",, chem_comp,chem_comp_DTH,17583,70645,DTH,,D-THREONINE,D-peptide linking,,DTH,no,1999-07-08,2009-01-07,REL,,,T,DTH,,,,,,,,,,,,,,,,,,0,no,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 13 13:30:42 2011",, chem_comp,chem_comp_DSN,17583,70646,DSN,,D-SERINE,D-peptide linking,,DSN,no,1999-07-08,2009-01-07,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,no,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 13 13:33:12 2011",, chem_comp,chem_comp_ZN,17595,70857,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 20 14:47:40 2011",, chem_comp,chem_comp_MG,17602,71010,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2008-12-05,REL,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 28 09:49:29 2011",, chem_comp,chem_comp_ZN,17609,71126,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 10 12:16:27 2011",, chem_comp,chem_comp_GNP,17610,71162,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2008-10-14,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,no,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,17610,71163,3,PDB,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2008-12-05,REL,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ACE,17618,71344,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 6 12:40:48 2011",, chem_comp,chem_comp_ETA,17618,71345,ETA,,ETHANOLAMINE,L-peptide COOH carboxy terminus,,ETA,no,1999-07-08,2010-03-12,REL,,,,ETA,,,,,,,,,,,,,,,,,,0,,no,C2 H7 N O,61.083,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 6 12:45:45 2011",, chem_comp,chem_comp_ACE,17619,71369,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 6 12:40:48 2011",, chem_comp,chem_comp_ETA,17619,71370,ETA,,ETHANOLAMINE,L-peptide COOH carboxy terminus,,ETA,no,1999-07-08,2010-03-12,REL,,,,ETA,,,,,,,,,,,,,,,,,,0,,no,C2 H7 N O,61.083,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 6 12:45:45 2011",, chem_comp,chem_comp_CA,17621,71418,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2008-12-05,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu May 5 09:28:33 2011",, chem_comp,chem_comp_MAB,17625,71472,MAB,,MANNOBIOSE,saccharide,,MAB,no,1999-10-27,2008-12-05,REL,,,,MAB,,,,,,,,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1QNR,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu May 5 10:15:07 2011",, chem_comp,chem_comp_ZN,17630,71577,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 9 13:43:32 2011",, chem_comp,chem_comp_ZN,17631,71593,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 10 10:02:43 2011",, chem_comp,chem_comp_PTR,17632,71610,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2009-12-01,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 18 09:54:02 2011",, chem_comp,chem_comp_FMN,17640,71744,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2008-10-14,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 16 11:37:39 2011",, chem_comp,chem_comp_FMN,17643,71792,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2008-10-14,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 16 11:37:39 2011",, chem_comp,chem_comp_MG,17652,71947,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jan 27 15:40:02 2012",, chem_comp,chem_comp_ACE,17657,72034,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:56:35 2011",, chem_comp,chem_comp_NH2,17657,72035,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:58:23 2011",, chem_comp,chem_comp_MK8,17657,72036,MK8,,2-methyl-L-norleucine,L-peptide linking,,MK8,no,2010-04-16,2010-06-18,REL,,,L,MK8,,,,,,,,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,,no,3MK8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:59:50 2011",, chem_comp,chem_comp_ACE,17658,72055,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:56:35 2011",, chem_comp,chem_comp_NH2,17658,72056,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:58:23 2011",, chem_comp,chem_comp_MK8,17658,72057,MK8,,2-methyl-L-norleucine,L-peptide linking,,MK8,no,2010-04-16,2010-06-18,REL,,,L,MK8,,,,,,,,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,,no,3MK8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:59:50 2011",, chem_comp,chem_comp_ACE,17659,72076,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2008-10-14,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:56:35 2011",, chem_comp,chem_comp_NH2,17659,72077,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:58:23 2011",, chem_comp,chem_comp_ZN,19178,100895,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MK8,17659,72078,MK8,,2-methyl-L-norleucine,L-peptide linking,,MK8,no,2010-04-16,2010-06-18,REL,,,L,MK8,,,,,,,,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,,no,3MK8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri May 27 13:59:50 2011",, chem_comp,chem_comp_ADP,17660,72111,ADP,,ADENOSINE-5'-DIPHOSPHATE,non-polymer,,ADP,no,1999-07-08,2008-10-14,REL,,,,ADP,,,,,,,,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 23 11:24:23 2011",, chem_comp,chem_comp_GND,17669,72245,GND,,2-AMINO-5-GUANIDINO-PENTANOIC ACID,L-peptide linking,,GND,no,2003-01-17,2011-06-04,REL,,,X,GND,,,,,,,,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 17:53:56 2011",, chem_comp,chem_comp_5GP,17671,72306,5GP,,GUANOSINE-5'-MONOPHOSPHATE,non-polymer,,5GP,no,1999-07-08,2011-06-04,REL,,CPG,,5GP,,,,,,,,,,,,,,,,,,0,,yes,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:51:35 2011",, chem_comp,chem_comp_ZN,17672,72325,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 31 09:39:42 2011",, chem_comp,chem_comp_M2L,17673,72341,M2L,,(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid,L-PEPTIDE LINKING,,M2L,no,2008-04-09,2011-06-04,REL,,,K,M2L,,,,,,,,,,,LYS,,,,,,,0,no,no,C7 H16 N2 O2 S,192.279,,,,,,,,,,,,,,,,,no,,no,3C1C,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:11:07 2011",, chem_comp,chem_comp_SSR,17674,72362,SSR,,2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol,non-polymer,,SSR,no,2010-09-01,2011-06-04,REL,,,,SSR,,,,,,,,,,,,,,,,,[2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone,0,,yes,C28 H28 F N3 O2,457.539,,,,,,,,,,,,,,,,,no,,no,3OOT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 10:22:08 2011",, chem_comp,chem_comp_MG,17678,72402,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2008-12-05,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 31 12:11:01 2011",, chem_comp,chem_comp_GNP,17678,72403,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2008-10-14,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 31 12:17:00 2011",, chem_comp,chem_comp_ZN,17679,72419,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 1 09:21:02 2011",, chem_comp,chem_comp_ZN,17680,72436,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_PTR,17680,72437,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 6 16:10:06 2011",, chem_comp,chem_comp_DI,17697,72739,DI,,2'-DEOXYINOSINE-5'-MONOPHOSPHATE,DNA linking,,DI,no,2001-06-01,2011-06-04,REL,,OIP,I,DI,,,,,,,,,,,,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 10:38:58 2011",, chem_comp,aMGG_D,1771,73025,aMGG_D,,4-(alpha-O-methyl N-glycylglucosaminidyl)-L-aspartic amide,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,17710,73041,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:11:59 2011",, chem_comp,chem_comp_UQ8,17710,73042,UQ8,,Ubiquinone-8,non-polymer,,UQ8,no,2008-08-21,2011-06-04,REL,,,,UQ8,,,,,,,,,,,,,,,,,"2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione",0,,no,C49 H74 O4,727.109,,,,,,,,,,,,,,,,,no,,no,3E8T,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 18 16:09:53 2011",, chem_comp,chem_comp_CU1,17716,73149,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:59:28 2011",, chem_comp,chem_comp_CU,17716,73150,CU,,COPPER (II) ION,non-polymer,,CU,no,1999-07-08,2011-06-04,REL,,,,CU,,,,,,,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:00:33 2011",, chem_comp,chem_comp_HOH,17716,73151,HOH,,WATER,non-polymer,,HOH,no,1999-07-08,2011-06-04,REL,,MTO,,HOH,,,,,,,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 5 16:27:03 2011",, chem_comp,chem_comp_CA,17718,73198,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_THP,17718,73199,THP,PDB,"THYMIDINE-3',5'-DIPHOSPHATE",NON-POLYMER,THP,THP,no,2012-11-20,2012-11-20,REL,,PTP,,THP,41,25,,,,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,no,C10 H16 N2 O11 P2,402.188,,,,,,,,,,,,,,,,,no,,no,1STG,EBI,,,,, chem_comp,chem_comp_CA,17722,73274,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,No,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 17:31:49 2011",, chem_comp,aMGG_D,1773,73423,aMGG_D,,4-(alpha-O-methyl N-glycylglucosaminidyl)-L-aspartic amide,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ACE,18942,96681,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,17732,73455,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 16:52:21 2011",, chem_comp,chem_comp_2LF,17746,73782,2LF,,"(6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",DNA LINKING,,2LF,no,2011-07-21,2011-07-21,HOLD,,,,2LF,,,,,,,,,,,DG,,,,,,,0,no,yes,C10 H12 N5 O7 P,345.205,,,,,,,,,,,,,,,,,no,,no,2LFA,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 17:53:53 2011",, chem_comp,chem_comp_ZN,17749,73843,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 17:44:25 2011",, chem_comp,chem_comp_ZIN,17749,73844,ZIN,,7-(pyridin-2-ylmethyl)quinolin-8-ol,non-polymer,,ZIN,no,2009-09-15,2011-06-04,REL,,,,ZIN,,,,,,,,,,,,,,,,,,0,,yes,C15 H12 N2 O,236.269,,,,,,,,,,,,,,,,,no,,no,3JTU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:10:48 2011",, chem_comp,chem_comp_AAC,1775,73866,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1775,73867,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,17751,73907,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 17:44:25 2011",, chem_comp,chem_comp_ZIN,17751,73908,ZIN,,7-(pyridin-2-ylmethyl)quinolin-8-ol,non-polymer,,ZIN,no,2009-09-15,2011-06-04,REL,,,,ZIN,,,,,,,,,,,,,,,,,,0,,yes,C15 H12 N2 O,236.269,,,,,,,,,,,,,,,,,no,,no,3JTU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:10:48 2011",, chem_comp,chem_comp_SMC,17757,74043,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,2012-11-20,2012-11-20,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_SMC,17759,74078,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,2012-11-20,2012-11-20,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_CHO,17767,74213,CHO,,GLYCOCHENODEOXYCHOLIC ACID,D-SACCHARIDE,,CHO,no,1999-07-08,2011-06-04,REL,,,,CHO,,,,,,,,,,,,,,,,,,0,,no,C26 H43 N O5,449.623,,,,,,,,,,,,,,,,,yes,,no,1FMC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 10:29:54 2011",, chem_comp,chem_comp_GCH,17767,74214,GCH,,GLYCOCHOLIC ACID,non-polymer,,GCH,no,2000-03-09,2011-06-04,REL,,,,GCH,,,,,,,,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 10:32:10 2011",, chem_comp,chem_comp_AAC,1777,74270,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1777,74271,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_3EV,17770,74286,3EV,,"(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",non-polymer,,3EV,no,2009-09-30,2011-06-04,REL,,,,3EV,,,,,,,,,,,,,,,,,"1alpha,25-dihydroxy-3-epi-vitamin D3",0,,no,C27 H44 O3,416.636,,,,,,,,,,,,,,,,,no,,no,3A78,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 11:37:58 2011",, chem_comp,chem_comp_CA,17771,74308,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 10:39:58 2011",, chem_comp,chem_comp_ZN,17772,74326,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 11:13:18 2011",, chem_comp,chem_comp_MG,17785,74554,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 14:57:49 2011",, chem_comp,chem_comp_GNP,17785,74555,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2011-06-04,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 14:53:47 2011",, chem_comp,chem_comp_TME,17788,74602,TME,,PROPANE,non-polymer,,TME,no,2001-01-24,2011-06-04,REL,,,,TME,,,,,,,,,,,,,,,,,,0,,no,C3 H8,44.096,,,,,,,,,,,,,,,,,no,,no,1HZ2,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 15:39:16 2011",, chem_comp,chem_comp_AAC,1779,74632,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1779,74633,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HNE,17790,74649,HNE,,"(2E,4R)-4-HYDROXYNON-2-ENAL",non-polymer,,HNE,,2006-08-22,2011-06-04,REL,,,,HNE,,,,,,,,,,,,,,,,,,0,,no,C9 H16 O2,156.222,,,,,,,,,,,,,,,,,no,,no,2J3K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 3 14:59:09 2011",, chem_comp,chem_comp_HNE,17791,74667,HNE,,"(2E,4R)-4-HYDROXYNON-2-ENAL",non-polymer,,HNE,,2006-08-22,2011-06-04,REL,,,,HNE,,,,,,,,,,,,,,,,,,0,,no,C9 H16 O2,156.222,,,,,,,,,,,,,,,,,no,,no,2J3K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 4 15:36:21 2011",, chem_comp,chem_comp_CA,17806,74878,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 17:56:14 2011",, chem_comp,chem_comp_CA,17807,74899,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_ZN,17808,74928,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 16 12:42:27 2011",, chem_comp,chem_comp_AAC,1781,74995,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1781,74996,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,17812,75052,M3L,,N-TRIMETHYLLYSINE,L-peptide linking,,M3L,no,1999-07-08,2011-06-04,REL,,,K,M3L,,,,,,,,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 17 16:50:14 2011",, chem_comp,chem_comp_ZN,17812,75053,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 17 17:12:20 2011",, chem_comp,chem_comp_ZN,17813,75072,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 17 17:12:20 2011",, chem_comp,chem_comp_RET,17817,75143,RET,,RETINAL,non-polymer,,RET,no,1999-07-08,2011-06-04,REL,,,,RET,,,,,,,,,,,,,,,,,,0,,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,,no,1OPB,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 17:47:26 2011",, chem_comp,chem_comp_ZN,17824,75268,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_AAC,1783,75389,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1783,75390,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_VB1,17834,75469,VB1,,N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine,L-PEPTIDE LINKING,,VB1,no,2007-09-14,2011-06-04,REL,,,K,VB1,,,,,,,,,,,LYS,,,,,,,0,,no,C13 H23 N3 O6 S,349.403,,,,,,,,,,,,,,,,,no,,no,2VBP,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 19 12:44:07 2011",, chem_comp,chem_comp_IHP,17838,75543,IHP,,INOSITOL HEXAKISPHOSPHATE,non-polymer,,IHP,no,1999-07-08,2011-06-04,REL,,,,IHP,,,,,,,,,,,,,,,,,MYO-INOSITOL HEXAKISPHOSPHATE,0,,no,C6 H18 O24 P6,660.035,,,,,,,,,,,,,,,,,no,,no,1THB,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 15:45:02 2011",, chem_comp,chem_comp_HEC,17845,75674,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 10 10:52:32 2011",, chem_comp,chem_comp_HEC,17846,75695,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 10 10:52:32 2011",, chem_comp,chem_comp_HEC,17847,75716,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 11 16:18:10 2011",, chem_comp,chem_comp_HEC,17848,75737,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 11 17:40:56 2011",, chem_comp,chem_comp_CA,17849,75758,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 14:38:08 2011",, chem_comp,chem_comp_AAC,1785,75778,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1785,75779,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,17850,75794,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 14:38:08 2011",, chem_comp,chem_comp_BEF,17851,75818,BEF,,BERYLLIUM TRIFLUORIDE ION,non-polymer,,BEF,no,1999-07-08,2011-06-04,REL,,,,BEF,,,,,,,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 12 08:34:55 2011",, chem_comp,chem_comp_MG,17851,75819,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 12 08:29:29 2011",, chem_comp,chem_comp_BEF,17852,75840,BEF,,BERYLLIUM TRIFLUORIDE ION,non-polymer,,BEF,no,1999-07-08,2011-06-04,REL,,,,BEF,,,,,,,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 12 09:31:29 2011",, chem_comp,chem_comp_MG,17852,75841,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 12 09:43:08 2011",, chem_comp,chem_comp_BG6,17852,75842,BG6,,BETA-D-GLUCOSE-6-PHOSPHATE,non-polymer,,BG6,no,2000-08-29,2011-06-04,REL,,,,BG6,,,,,,,,,,,,,,,,,,0,,no,C6 H13 O9 P,260.136,,,,,,,,,,,,,,,,,no,,no,1E77,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 12 09:45:10 2011",, chem_comp,chem_comp_ZN,17858,75938,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 18 16:07:37 2011",, chem_comp,chem_comp_LHO,17859,75958,LHO,PDB,2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione,DNA LINKING,LHO,LHO,no,2012-06-06,2012-06-06,HOLD,,,,LHO,42,24,,,,"InChI=1S/C15H18NO6PS/c1-9-2-3-11-10(6-9)4-5-16(15(11)24)14-7-12(17)13(22-14)8-21-23(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H2,18,19,20)/t12-,13+,14+/m0/s1",,,,,,,,,,,,0,,yes,C15 H18 N O6 P S,371.345,,,,,,,,,,,,,,,,,no,Corina,no,2LHO,RCSB,,,,, chem_comp,chem_comp_MM7,17859,75959,MM7,PDB,"(1R)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-O-phosphono-D-erythro-pentitol",DNA LINKING,MM7,MM7,no,2012-06-06,2012-06-06,HOLD,,,,MM7,40,21,,,,"InChI=1S/C13H19O7P/c1-8-3-4-9(11(5-8)18-2)12-6-10(14)13(20-12)7-19-21(15,16)17/h3-5,10,12-14H,6-7H2,1-2H3,(H2,15,16,17)/t10-,12+,13+/m0/s1",,,,,,,,,,,,0,,yes,C13 H19 O7 P,318.260,,,,,,,,,,,,,,,,,no,Corina,no,2LHO,RCSB,,,,, chem_comp,chem_comp_ACE,17868,76136,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:17:06 2011",, chem_comp,chem_comp_NH2,17868,76137,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:21:08 2011",, chem_comp,chem_comp_ACE,17869,76156,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:53:14 2011",, chem_comp,chem_comp_NH2,17869,76157,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:51:49 2011",, chem_comp,chem_comp_A2G,17869,76158,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:48:35 2011",, chem_comp,chem_comp_AAC,1787,76176,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1787,76177,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,17870,76192,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:53:14 2011",, chem_comp,chem_comp_NH2,17870,76193,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:51:49 2011",, chem_comp,chem_comp_A2G,17870,76194,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:48:35 2011",, chem_comp,chem_comp_ACE,17871,76213,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 7 15:41:40 2011",, chem_comp,chem_comp_NH2,17871,76214,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 17:31:31 2011",, chem_comp,chem_comp_A2G,17871,76215,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,Saccharide,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 7 15:18:40 2011",, chem_comp,chem_comp_ACE,17872,76234,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:17:06 2011",, chem_comp,chem_comp_NH2,17872,76235,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:21:08 2011",, chem_comp,chem_comp_A2G,17872,76236,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,no,,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 17:28:58 2011",, chem_comp,chem_comp_ACE,17873,76255,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:17:06 2011",, chem_comp,chem_comp_NH2,17873,76256,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:21:08 2011",, chem_comp,chem_comp_A2G,17873,76257,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 17:28:58 2011",, chem_comp,chem_comp_ACE,17874,76276,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:17:06 2011",, chem_comp,chem_comp_NH2,17874,76277,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 15:21:08 2011",, chem_comp,chem_comp_A2G,17874,76278,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 17:28:58 2011",, chem_comp,chem_comp_ACE,17875,76297,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 12:02:36 2011",, chem_comp,chem_comp_NH2,17875,76298,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 11:58:40 2011",, chem_comp,chem_comp_A2G,17875,76299,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 11:54:33 2011",, chem_comp,chem_comp_NHE,17882,76430,NHE,,2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID,non-polymer,,NHE,no,2001-04-24,2011-06-04,REL,,,,NHE,,,,,,,,,,,,,,,,,N-CYCLOHEXYLTAURINE; CHES,0,,no,C8 H17 N O3 S,207.290,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 18:30:17 2011",, chem_comp,chem_comp_ZN,17883,76447,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 15:25:51 2011",, chem_comp,chem_comp_NH2,17884,76474,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 8 11:39:54 2011",, chem_comp,chem_comp_ACE,17884,76475,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 8 11:35:08 2011",, chem_comp,chem_comp_ZN,17884,76476,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 8 11:35:45 2011",, chem_comp,chem_comp_2LA,17885,76499,2LA,PDB,"2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",DNA LINKING,,2LA,no,2011-09-07,2011-09-09,HOLD,,,,2LA,,,,,,,,,,,,,,,,,,0,,yes,C12 H18 N5 O7 P,375.274,,,,,,,,,,,,,,,,,no,,no,2LIA,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 15:34:03 2011",, chem_comp,chem_comp_PNS,17886,76517,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 13:00:15 2011",, chem_comp,chem_comp_A3A,17887,76533,A3A,,2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE,DNA LINKING,,A3A,no,2004-01-13,2011-06-04,REL,,,A,A3A,,,,,,,,,,,DA,,,,,,,0,,yes,C10 H14 N5 O6 P,331.222,,,,,,,,,,,,,,,,,yes,,no,1S0T,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 27 14:34:21 2011",, chem_comp,chem_comp_SEP,17888,76555,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-04-05,2012-04-05,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_AAC,1789,76585,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,1789,76586,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NAG,17902,76829,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:25:33 2011",, chem_comp,chem_comp_MAG,17902,76830,MAG,PDB,BETA-METHYL-N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,MAG,no,1999-07-08,2011-06-04,REL,,1NA,,MAG,,,,,,,,,,,,,,,,,,0,no,no,C9 H17 N O6,235.234,,,,,,,,,,,,,,,,,no,,no,1GSL,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:49:45 2011",, chem_comp,chem_comp_FUC,17902,76831,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,,FUC,no,1999-07-08,2011-06-04,REL,,,,FUC,,,,,,,,,,,,,,,,,,0,no,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:54:40 2011",, chem_comp,chem_comp_HEC,17903,76858,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,no,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 14:20:39 2011",, chem_comp,chem_comp_HEC,17904,76877,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 14:20:39 2011",, chem_comp,chem_comp_SRA,17907,76933,SRA,,ADENOSINE -5'-THIO-MONOPHOSPHATE,RNA LINKING,,SRA,no,1999-09-15,2011-06-04,REL,,,A,SRA,,,,,,,,,,,A,,,,,,,0,,yes,C10 H14 N5 O6 P S,363.287,,,,,,,,,,,,,,,,,no,,no,1D0T,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:15:44 2011",, chem_comp,chem_comp_PNS,17907,76934,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:35:25 2011",, chem_comp,chem_comp_MAH,17907,76935,MAH,,3-HYDROXY-3-METHYL-GLUTARIC ACID,non-polymer,,MAH,no,2000-01-12,2011-06-04,REL,,,,MAH,,,,,,,,,,,,,,,,,,0,,no,C6 H10 O5,162.141,,,,,,,,,,,,,,,,,no,,no,1DQA,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:37:27 2011",, chem_comp,chem_comp_HEC,1791,76987,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1791,76988,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_ANI,17914,77067,ANI,,4-(trifluoromethyl)aniline,non-polymer,,ANI,no,1999-07-08,2011-06-04,REL,,,,ANI,,,,,,,,,,,,,,,,,,0,no,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,,no,1ELE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 7 17:13:12 2011",, chem_comp,chem_comp_LL5,17915,77085,LL5,,"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",non-polymer,,LL5,no,2010-12-21,2011-06-04,HOLD,,,,LL5,,,,,,,,,,,,,,,,,,0,,yes,C16 H22 N4 O2 S,334.436,,,,,,,,,,,,,,,,,no,,no,3Q0W,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 26 13:27:59 2011",, chem_comp,chem_comp_ZN,17925,77244,ZN,,ZINC ION,non-polymer,,ZN,,,,,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009",, chem_comp,chem_comp_RIM,17929,77329,RIM,,RIMANTADINE,non-polymer,,RIM,,2007-07-19,2011-06-04,REL,,,,RIM,,,,,,,,,,,,,,,,,1-(1-ADAMANTYL)ETHANAMINE,0,no,no,C12 H21 N,179.302,,,,,,,,,,,,,,,,,no,,no,2RLF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 22 17:20:39 2011",, chem_comp,chem_comp_HEC,1793,77352,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1793,77353,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_PTR,17930,77367,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 10:39:39 2011",, chem_comp,chem_comp_PTR,17931,77385,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 20 15:52:49 2011",, chem_comp,chem_comp_PTR,17932,77404,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 10:05:57 2011",, chem_comp,chem_comp_PCA,17942,77563,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 13 16:34:33 2011",, chem_comp,chem_comp_NAP,17946,77636,NAP,,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NAP,no,1999-07-08,2011-06-04,REL,,,,NAP,,,,,,,,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 20 13:54:35 2011",, chem_comp,chem_comp_FOL,17946,77637,FOL,,FOLIC ACID,non-polymer,,FOL,no,1999-07-08,2011-06-04,REL,,FA,,FOL,,,,,,,,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 20 13:56:57 2011",, chem_comp,chem_comp_HEB,17947,77656,HEB,,HEME B/C,non-polymer,,HEB,yes,1999-07-08,2008-10-14,REL,,,,HEB,,,,,,,,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1QQ3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:53:28 2011",, chem_comp,chem_comp_THC,18,78679,THC,PDB,N-METHYLCARBONYLTHREONINE,L-PEPTIDE LINKING,THC,THC,no,1999-07-08,2011-12-14,REL,,,T,THC,22,11,,,,"InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1",,,,,THR,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,1A7C,EBI,,,,, chem_comp,chem_comp_HEC,1795,77713,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1795,77714,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_PCA,17956,77794,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 10:10:49 2011",, chem_comp,chem_comp_ZN,17967,78008,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 13 11:43:31 2011",, chem_comp,chem_comp_ZN,17968,78031,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:35:48 2011",, chem_comp,chem_comp_ZN,17969,78053,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:20:20 2011",, chem_comp,chem_comp_ACE,17969,78054,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:37 2011",, chem_comp,chem_comp_NH2,17969,78055,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:52 2011",, chem_comp,chem_comp_HEC,1797,78073,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,1797,78074,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_ACE,17970,78090,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:37 2011",, chem_comp,chem_comp_NH2,17970,78091,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:52 2011",, chem_comp,chem_comp_AQN,17970,78092,AQN,,"9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",non-polymer,,AQN,no,2011-10-20,2011-10-20,HOLD,,,,AQN,,,,,,,,,,,,,,,,,,0,,yes,C14 H8 O5 S,288.275,,,,,,,,,,,,,,,,,no,,no,2LK1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:46:16 2011",, chem_comp,chem_comp_ZN,17970,78093,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:20:20 2011",, chem_comp,chem_comp_DAS,17973,78192,DAS,,D-ASPARTIC ACID,D-PEPTIDE LINKING,,DAS,no,1999-07-08,2011-06-04,REL,,DSP,D,DAS,,,,,,,,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:43:38 2011",, chem_comp,chem_comp_CA,18388,85813,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_240,17975,78229,240,,(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID,non-polymer,,240,,2007-06-15,2011-06-04,REL,,,,240,,,,,,,,,,,,,,,,,MRL20,0,,yes,C28 H24 F3 N O6,527.488,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 10:54:47 2011",, chem_comp,chem_comp_241,17976,78248,241,,(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID,non-polymer,,241,,2007-06-25,2011-06-04,REL,,,,241,,,,,,,,,,,,,,,,,MRL24,0,,yes,C28 H24 F3 N O6,527.488,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 11:09:14 2011",, chem_comp,chem_comp_240,17977,78267,240,,(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID,non-polymer,,240,,2007-06-15,2011-06-04,REL,,,,240,,,,,,,,,,,,,,,,,MRL20,0,,yes,C28 H24 F3 N O6,527.488,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 11:17:09 2011",, chem_comp,chem_comp_ZN,17979,78305,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 18 14:50:33 2011",, chem_comp,chem_comp_CA,17982,78368,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_CA,17983,78388,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_PNS,17995,78586,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 18 14:59:57 2011",, chem_comp,chem_comp_CD,17997,78628,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 13:32:37 2011",, chem_comp,chem_comp_4IP,18002,78758,4IP,,"INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE",non-polymer,,4IP,no,1999-07-08,2011-06-04,REL,,ITS,,4IP,,,,,,,,,,,,,,,,,,0,,no,C6 H16 O18 P4,500.075,,,,,,,,,,,,,,,,,no,,no,1FGY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 15:55:33 2011",, chem_comp,chem_comp_ZN,18004,78801,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 10:23:22 2011",, chem_comp,chem_comp_2MR,18005,78825,2MR,,"N3, N4-DIMETHYLARGININE",L-PEPTIDE LINKING,,2MR,no,2000-11-03,2011-06-04,REL,,,R,2MR,,,,,,,,,,,ARG,,,,,,,0,,no,C8 H18 N4 O2,202.254,,,,,,,,,,,,,,,,,no,,no,1G42,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 11:39:42 2011",, chem_comp,chem_comp_2MR,18006,78846,2MR,,"N3, N4-DIMETHYLARGININE",L-PEPTIDE LINKING,,2MR,no,2000-11-03,2011-06-04,REL,,,R,2MR,,,,,,,,,,,ARG,,,,,,,0,,no,C8 H18 N4 O2,202.254,,,,,,,,,,,,,,,,,no,,no,1G42,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 11:39:42 2011",, chem_comp,chem_comp_DA2,18007,78867,DA2,,"NG,NG-DIMETHYL-L-ARGININE",L-PEPTIDE LINKING,,DA2,no,1999-07-27,2011-06-04,REL,,,X,DA2,,,,,,,,,,,,,,,,,ADMA,0,,no,C8 H18 N4 O2,202.254,,,,,,,,,,,,,,,,,no,,no,7NSE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 13:25:14 2011",, chem_comp,chem_comp_DA2,18008,78888,DA2,,"NG,NG-DIMETHYL-L-ARGININE",L-PEPTIDE LINKING,,DA2,no,1999-07-27,2011-06-04,REL,,,X,DA2,,,,,,,,,,,,,,,,,ADMA,0,,no,C8 H18 N4 O2,202.254,,,,,,,,,,,,,,,,,no,,no,7NSE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 14:32:34 2011",, chem_comp,chem_comp_MG,18021,79157,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 15:05:09 2011",, chem_comp,chem_comp_CMP,18024,79204,CMP,,"ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE",non-polymer,,CMP,no,1999-07-08,2011-06-04,REL,,,,CMP,,,,,,,,,,,,,,,,,CYCLIC AMP; CAMP,0,,yes,C10 H12 N5 O6 P,329.206,,,,,,,,,,,,,,,,,no,,no,1RUN,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 15:38:59 2011",, chem_comp,chem_comp_CA,18026,79235,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 31 13:16:58 2011",, chem_comp,chem_comp_FAD,18029,79287,FAD,,FLAVIN-ADENINE DINUCLEOTIDE,non-polymer,,FAD,no,1999-07-08,2011-06-04,REL,,,,FAD,,,,,,,,,,,,,,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,no,,no,1B4V,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 31 14:00:40 2011",, chem_comp,chem_comp_AP5,18031,79318,AP5,,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,non-polymer,,AP5,no,1999-07-08,2011-06-04,REL,,,,AP5,,,,,,,,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 7 13:51:45 2011",, chem_comp,chem_comp_PNS,18032,79339,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 11 15:11:11 2011",, chem_comp,chem_comp_ZN,18049,79664,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LLJ,18050,79682,LLJ,,"6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene",non-polymer,,LLJ,no,2012-02-17,2012-02-17,HOLD,,,,LLJ,,,,,,,,,,,,,,,,,,4,,yes,C32 H44 N4 O2,516.717,,,,,,,,,,,,,,,,,no,,no,2LLJ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Mar 2 14:29:19 2012",, chem_comp,chem_comp_CA,18389,85835,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,18052,79723,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 14 12:08:48 2011",, chem_comp,chem_comp_GMP,18079,80139,GMP,,GUANOSINE,non-polymer,,GMP,no,1999-07-08,2011-06-04,REL,,,,GMP,,,,,,,,,,,,,,,,,,0,,yes,C10 H13 N5 O5,283.241,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 16 08:53:55 2011",, chem_comp,chem_comp_PCA,1808,80156,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,18082,80216,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,18084,80250,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SNC,18088,80335,SNC,,S-NITROSO-CYSTEINE,L-PEPTIDE LINKING,,SNC,no,1999-07-08,2011-06-04,REL,,,C,SNC,,,,,,,,,,,CYS,,,,,,,0,,no,C3 H6 N2 O3 S,150.156,,,,,,,,,,,,,,,,,no,,no,1BUW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 23 20:36:58 2011",, chem_comp,chem_comp_ANI,18094,80465,ANI,,4-(trifluoromethyl)aniline,non-polymer,,ANI,no,1999-07-08,2011-06-04,REL,,,,ANI,,,,,,,,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,,no,1ELE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 30 16:32:47 2011",, chem_comp,chem_comp_CA,18099,80582,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:53:32 2011",, chem_comp,chem_comp_CA,18101,80621,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 23 11:01:46 2011",, chem_comp,chem_comp_GSP,18103,80657,GSP,,5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE,non-polymer,,GSP,no,1999-07-08,2011-06-04,REL,,,,GSP,,,,,,,,,,,,,,,,,,0,no,yes,C10 H16 N5 O13 P3 S,539.246,,,,,,,,,,,,,,,,,no,,no,1GIA,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 28 13:44:22 2011",, chem_comp,chem_comp_MG,18103,80658,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 28 13:46:33 2011",, chem_comp,chem_comp_SEP,18105,80698,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 19 15:28:59 2012",, chem_comp,chem_comp_3C3,18106,80721,3C3,,"4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)",non-polymer,,3C3,,2006-03-09,2011-06-04,REL,,,,3C3,,,,,,,,,,,,,,,,,,0,,yes,C9 H15 N9 O2,281.275,,,,,,,,,,,,,,,,,no,,no,2CGW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 19 15:51:01 2012",, chem_comp,chem_comp_SEP,18106,80722,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 19 15:28:59 2012",, chem_comp,chem_comp_HC4,18122,81022,HC4,,4'-HYDROXYCINNAMIC ACID,non-polymer,,HC4,no,1999-07-08,2011-06-04,REL,,,,HC4,,,,,,,,,,,,,,,,,PARA-COUMARIC ACID,0,,yes,C9 H8 O3,164.158,,,,,,,,,,,,,,,,,no,,no,1F9I,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 15:15:05 2011",, chem_comp,chem_comp_BTN,18125,81072,BTN,,BIOTIN,non-polymer,,BTN,no,1999-07-08,2011-06-04,REL,,,,BTN,,,,,,,,,,,,,,,,,,0,,no,C10 H16 N2 O3 S,244.311,,,,,,,,,,,,,,,,,no,,no,1DF8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 10:45:24 2011",, chem_comp,chem_comp_A2G,18135,81243,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jan 9 11:53:54 2012",, chem_comp,chem_comp_ZN,18142,81329,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 12 11:20:05 2012",, chem_comp,chem_comp_NH2,18146,81387,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,18159,81637,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ACE,18160,81668,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,18169,81833,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 12 13:20:01 2012",, chem_comp,chem_comp_ANI,18170,81868,ANI,PDB,4-(trifluoromethyl)aniline,NON-POLYMER,ANI,ANI,no,1999-07-08,2011-12-14,REL,,,,ANI,17,11,,,,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,Corina,no,1ELE,RCSB,,,,, chem_comp,chem_comp_PTR,18182,82046,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 26 08:57:40 2012",, chem_comp,chem_comp_ZN,18191,82226,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jan 24 10:00:36 2012",, chem_comp,chem_comp_ZN,18192,82252,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACO,18202,82468,ACO,PDB,ACETYL COENZYME *A,NON-POLYMER,ACO,ACO,no,1999-07-08,2011-12-14,REL,,,,ACO,89,51,,,,"InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1",,,,,,,,,,,,0,,yes,C23 H38 N7 O17 P3 S,809.571,,,,,,,,,,,,,,,,,no,,no,4CSC,EBI,,,,, chem_comp,chem_comp_MSE,18202,82469,MSE,PDB,SELENOMETHIONINE,L-PEPTIDE LINKING,MSE,MSE,no,1999-07-08,2011-12-14,REL,,,M,MSE,20,9,,,,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,MET,,,,,,,0,,no,C5 H11 N O2 Se,196.106,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ANI,18210,82612,ANI,PDB,4-(trifluoromethyl)aniline,NON-POLYMER,ANI,ANI,no,1999-07-08,2011-12-14,REL,,,,ANI,17,11,,,,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,Corina,no,1ELE,RCSB,,,,, chem_comp,chem_comp_CA,18230,83085,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HCS,18230,83086,HCS,PDB,2-AMINO-4-MERCAPTO-BUTYRIC ACID,L-PEPTIDE LINKING,HCS,HCS,no,2001-08-14,2011-12-14,REL,,,X,HCS,17,8,,,,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1JVI,RCSB,,,,, chem_comp,chem_comp_CA,18231,83119,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_D1R,18236,83204,D1R,,NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE,non-polymer,,D1R,,2007-04-19,2011-06-04,REL,,,,D1R,,,,,,,,,,,,,,,,,,0,no,yes,C32 H40 N4 O4 S,576.749,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:49:21 2012",, chem_comp,chem_comp_ACE,18238,83239,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,18238,83240,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CYN,18423,86450,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-04-05,2012-04-05,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_33B,18238,83241,33B,PDB,"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",NON-POLYMER,33B,33B,no,2012-04-14,2012-04-14,REL,,,,33B,46,32,,,,"InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+",,,,,,,,,,,,0,,yes,C16 H14 Cl2 N4 O8 S2,525.340,,,,,,,,,,,,,,,,,no,Corina,no,2LP8,RCSB,,,,, chem_comp,chem_comp_GCP,18251,83443,GCP,PDB,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,non-polymer,,GCP,no,1999-07-08,2011-06-04,REL,,GTO,,GCP,,,,,,,,,,,,,,,,,,0,no,yes,C11 H18 N5 O13 P3,521.208,,,,,,,,,,,,,,,,,no,,no,1HOP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 17 14:45:43 2012",, chem_comp,chem_comp_GCP,18252,83468,GCP,PDB,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,non-polymer,,GCP,no,1999-07-08,2011-06-04,REL,,GTO,,GCP,,,,,,,,,,,,,,,,,,0,no,yes,C11 H18 N5 O13 P3,521.208,,,,,,,,,,,,,,,,,no,,no,1HOP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 17 14:45:43 2012",, chem_comp,chem_comp_MYR,18282,83885,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,no,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Mar 1 17:21:19 2012",, chem_comp,chem_comp_ZN,18296,84127,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,18300,84213,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,18302,84249,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NAG,18305,84306,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,1999-07-08,2011-12-14,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_NI,18326,84676,NI,PDB,NICKEL (II) ION,NON-POLYMER,NI,NI,no,1999-07-08,2011-12-14,REL,,,,NI,1,1,,,,InChI=1S/Ni/q+2,,,,,,,,,,,,2,,no,Ni,58.693,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PTR,18333,84805,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,1999-07-08,2011-12-14,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,18335,84843,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NHH,18335,84844,NHH,PDB,N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE,NON-POLYMER,NHH,NHH,no,2003-06-17,2011-12-14,HOLD,,,,NHH,32,16,,,,"InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4H2,(H4,9,10,15)(H4,11,12,16)/b13-5-,14-6+",,,,,,,,,,,,0,,no,C8 H16 N8,224.266,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_D-Gal-beta(1-3)GalNAc-alpha-Thr,18344,85000,1,,D-Gal-beta(1-3)GalNAc-alpha-Thr,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,gal-beta-1-3-galnac-alpha-THR.gif,gif,,,,,,,,,,,,,,,,,,"O-Glycosylated Thr106. The OG1 of Thr106 is covalently attached to D-Gal-beta(1-3)GalNAc via the C1 of GalNAc (N-Acetyl-D-Galactosamine) in axial form (alpha anomer).",, chem_comp,chem_comp_ZN,18374,85597,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_D6M,18378,85665,D6M,PDB,N-hexadecanoyl-L-glutamic acid,NON-POLYMER,D6M,D6M,no,2013-07-06,2013-07-06,REL,,,,D6M,66,27,,,,,,,,,,,,,,,,0,,no,C21 H39 N O5,385.538,,,,,,,,,,,,,,,,,no,Corina,no,4APD,EBI,,,,, chem_comp,chem_comp_PHO,18379,85687,PHO,PDB,PHEOPHYTIN A,NON-POLYMER,PHO,PHO,no,2012-04-05,2012-04-05,REL,,,,PHO,138,64,,,,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1",,,,,,,,,,,,0,,yes,C55 H74 N4 O5,871.200,,,,,,,,,,,,,,,,,no,,no,2AXT,RCSB,,,,, chem_comp,chem_comp_ANI,18379,85688,ANI,PDB,4-(trifluoromethyl)aniline,NON-POLYMER,ANI,ANI,no,2012-04-05,2012-04-05,REL,,,,ANI,17,11,,,,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,Corina,no,1ELE,RCSB,,,,, chem_comp,chem_comp_DGP,18391,85893,DGP,PDB,2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,DGP,DGP,no,2012-04-05,2012-04-05,REL,,DCG,,DGP,37,23,,,,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_ZN,18414,86274,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEB,18422,86421,HEB,PDB,HEME B/C,NON-POLYMER,HEB,HEB,yes,2012-04-05,2012-04-05,REL,,,,HEB,77,43,,,,"InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H",,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1QQ3,RCSB,,,,, chem_comp,chem_comp_CMO,18422,86422,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,2012-04-05,2012-04-05,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_HEB,18423,86449,HEB,PDB,HEME B/C,NON-POLYMER,HEB,HEB,yes,2012-04-05,2012-04-05,REL,,,,HEB,77,43,,,,"InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H",,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1QQ3,RCSB,,,,, chem_comp,chem_comp_HEM,18424,86478,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-04-05,2012-04-05,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CA,18425,86500,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CFL,18427,86535,CFL,PDB,4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,DNA LINKING,CFL,CFL,no,2012-04-05,2012-04-05,REL,,,C,CFL,34,21,,,,"InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",,,,,DC,,,,,,2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,0,,no,C9 H13 F N3 O7 P,325.188,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GFL,18427,86536,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-04-05,2012-04-05,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_A5O,18427,86537,A5O,PDB,ADENINE ARABINOSE-5'-PHOSPHATE,RNA LINKING,A5O,A5O,no,2012-04-05,2012-04-05,REL,,,A,A5O,37,23,,,,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,Corina,no,2KP3,RCSB,,,,, chem_comp,chem_comp_UAR,18427,86538,UAR,PDB,URACIL ARABINOSE-5'-PHOSPHATE,RNA LINKING,UAR,UAR,no,2012-04-05,2012-04-05,REL,,,U,UAR,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1HO6,RCSB,,,,, chem_comp,chem_comp_02I,18430,86614,02I,PDB,"(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",DNA LINKING,02I,02I,no,2012-05-03,2012-05-03,HOLD,,,,02I,34,22,,,,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15-4-1-3(16)6(20-4)7(10(15)14-5)21-22(17,18)19/h2-4,6-7,16H,1H2,(H2,11,12,13)(H2,17,18,19)/t3-,4+,6-,7+/m0/s1",,,,,,,,,,,,0,,yes,C10 H12 N5 O6 P,329.206,,,,,,,,,,,,,,,,,no,Corina,no,2LG0,RCSB,,,,, chem_comp,chem_comp_ALY,18439,86784,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-04-05,2012-04-05,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_GNP,18461,87132,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-04-05,2012-04-05,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,18461,87133,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-04-05,2012-04-05,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HOH,18461,87134,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-04-05,2012-04-05,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ZN,18462,87158,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CU1,18470,87375,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-04-05,2012-04-05,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_U46,18473,87419,U46,PDB,(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID,NON-POLYMER,U46,U46,no,2012-04-05,2012-04-05,REL,,,,U46,59,25,,,,"InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20-/m1/s1",,,,,,,,,,,"9,11-DIDEOXY-9,11-METHANOEPOXY PROSTAGLANDIN F2",0,,no,C21 H34 O4,350.492,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DA2,18490,87703,DA2,PDB,"NG,NG-DIMETHYL-L-ARGININE",L-PEPTIDE LINKING,DA2,DA2,no,2012-04-05,2012-04-05,REL,,,X,DA2,32,14,,,,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",,,,,,,,,,,ADMA,0,,no,C8 H18 N4 O2,202.254,,,,,,,,,,,,,,,,,no,,no,7NSE,RCSB,,,,, chem_comp,chem_comp_UQ1,18493,87761,UQ1,PDB,UBIQUINONE-1,NON-POLYMER,UQ1,UQ1,no,2012-04-05,2012-04-05,REL,,,,UQ1,36,18,,,,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",,,,,,,,,,,,0,,no,C14 H18 O4,250.290,,,,,,,,,,,,,,,,,no,,no,1PRC,RCSB,,,,, chem_comp,chem_comp_CU,18509,88101,CU,PDB,COPPER (II) ION,NON-POLYMER,CU,CU,no,2012-04-05,2012-04-05,REL,,,,CU,1,1,,,,InChI=1S/Cu/q+2,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,18518,88261,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-04-05,2012-04-05,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_DPV,18520,88303,DPV,PDB,dodecyl 2-(trimethylammonio)ethyl phosphate,NON-POLYMER,DPV,DPV,no,2012-04-05,2012-04-05,REL,,,,DPV,61,23,,,,"InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3",,,,,,,,,,,dodecylphosphocholine,0,,no,C17 H38 N O4 P,351.462,,,,,,,,,,,,,,,,,no,Corina,no,3KYQ,PDBJ,,,,, chem_comp,chem_comp_IGU,18524,88388,IGU,PDB,2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE,DNA LINKING,IGU,IGU,no,2016-11-17,2016-11-17,REL,,0UH,G,IGU,37,23,,,,"InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,DG,,,,,,,0,,no,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,yes,Corina,no,1BHR,RCSB,,,,, chem_comp,chem_comp_ZN,18526,88410,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GDP,18529,88472,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2012-04-05,2012-04-05,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,,, chem_comp,chem_comp_NH2,18537,88623,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,18538,88638,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_MLY,18579,89491,MLY,PDB,N-DIMETHYL-LYSINE,L-PEPTIDE LINKING,MLY,MLY,no,2012-04-05,2012-04-05,REL,,TRG,K,MLY,30,12,,,,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,,, chem_comp,chem_comp_ZN,18586,89639,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_VAL,18591,89745,VAL,PDB,VALINE,L-PEPTIDE LINKING,VAL,VAL,no,2012-04-05,2012-04-05,REL,,,V,VAL,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_UPV,18593,89789,UPV,PDB,"2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)",RNA LINKING,UPV,UPV,no,2012-07-31,2012-07-31,HOLD,,,,UPV,52,29,,,,"InChI=1S/C15H23N2O11P/c1-15(2,3)13(20)26-7-25-11-10(19)8(6-27-29(22,23)24)28-12(11)17-5-4-9(18)16-14(17)21/h4-5,8,10-12,19H,6-7H2,1-3H3,(H,16,18,21)(H2,22,23,24)/t8-,10-,11-,12-/m1/s1",,,,,U,,,,,,,0,,no,C15 H23 N2 O11 P,438.324,,,,,,,,,,,,,,,,,no,Corina,no,2LVY,RCSB,,,,, chem_comp,chem_comp_LVZ,18596,89828,LVZ,PDB,propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside,D-SACCHARIDE,LVZ,LVZ,no,2012-07-19,2012-07-19,HOLD,,,,LVZ,42,23,,,,"InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1",,,,,,,,,,,,0,,no,C9 H19 N O11 S2,381.377,,,,,,,,,,,,,,,,,no,Corina,no,2LVZ,RCSB,,,,, chem_comp,chem_comp_SGN,18596,89829,SGN,PDB,"N,O6-DISULFO-GLUCOSAMINE",SACCHARIDE,SGN,SGN,no,2012-04-05,2012-04-05,REL,,,,SGN,33,20,,,,"InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O11 S2,339.298,,,,,,,,,,,,,,,,,no,,no,1BFB,EBI,,,,, chem_comp,chem_comp_IDS,18596,89830,IDS,PDB,2-O-sulfo-alpha-L-idopyranuronic acid,SACCHARIDE,IDS,IDS,no,2012-04-05,2012-04-05,REL,,2SI,,IDS,27,17,,,,"InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1",,,,,,,,,,,O2-SULFO-GLUCURONIC ACID,0,,no,C6 H10 O10 S,274.203,,,,,,,,,,,,,,,,,no,,no,1HPN,RCSB,,,,, chem_comp,chem_comp_BGC,18603,90018,BGC,PDB,BETA-D-GLUCOSE,SACCHARIDE,BGC,BGC,no,2012-06-23,2012-06-23,REL,,,,BGC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1GU3,EBI,,,,, chem_comp,chem_comp_BGC,18609,90144,BGC,PDB,BETA-D-GLUCOSE,SACCHARIDE,BGC,BGC,no,2012-06-23,2012-06-23,REL,,,,BGC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1GU3,EBI,,,,, chem_comp,chem_comp_NT,18626,90455,NT,PDB,NETROPSIN,NON-POLYMER,NT,NT,no,2012-04-05,2012-04-05,REL,,,,NT,57,31,,,,"InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)",,,,,,,,,,,,0,,yes,C18 H26 N10 O3,430.464,,,,,,,,,,,,,,,,,no,,no,473D,RCSB,,,,, chem_comp,chem_comp_GNP,18629,90527,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-04-05,2012-04-05,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,18629,90528,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-04-05,2012-04-05,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_KOB,18629,90529,KOB,PDB,"2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide",NON-POLYMER,KOB,KOB,no,2012-08-29,2012-08-29,HOLD,,,,KOB,34,24,,,,"InChI=1S/C13H10FN5O4S/c14-8-1-3-9(4-2-8)15-13(24)17-16-11-6-5-10(18(20)21)7-12(11)19(22)23/h1-7,16H,(H2,15,17,24)",,,,,,,,,,,,0,,yes,C13 H10 F N5 O4 S,351.313,,,,,,,,,,,,,,,,,no,Corina,no,2LWI,PDBJ,,,,, chem_comp,chem_comp_HOH,18629,90530,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-04-05,2012-04-05,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_OLA,18632,90583,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-04-05,2012-04-05,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_0EC,18633,90620,0EC,PDB,"6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine",NON-POLYMER,0EC,0EC,no,2012-08-03,2012-08-03,HOLD,,,,0EC,40,21,,,,"InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)",,,,,,,,,,,,0,,yes,C14 H19 N5 O2,289.333,,,,,,,,,,,,,,,,,no,Corina,no,2LWK,RCSB,,,,, chem_comp,chem_comp_LWM,18638,90722,LWM,PDB,"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",DNA LINKING,LWM,LWM,no,2013-01-19,2013-01-19,HOLD,,,,LWM,42,24,,,,"InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1",,,,,,,,,,,,0,no,no,C11 H18 N5 O7 P,363.264,,,,,,,,,,,,,,,,,no,Corina,no,2LWM,RCSB,,,,, chem_comp,chem_comp_DBP,18762,92992,DBP,PDB,"1,3-DIAMINOBENZYL PHENYLALANINE",NON-POLYMER,DBP,DBP,no,2012-04-05,2012-04-05,REL,,,,DBP,19,9,,,,"InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2",,,,,,,,,,,,0,,yes,C7 H10 N2,122.168,,,,,,,,,,,,,,,,,no,,no,1A85,RCSB,,,,, chem_comp,chem_comp_LWM,18639,90743,LWM,PDB,"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",DNA LINKING,LWM,LWM,no,2013-01-19,2013-01-19,HOLD,,,,LWM,42,24,,,,"InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1",,,,,,,,,,,,0,NO,no,C11 H18 N5 O7 P,363.264,,,,,,,,,,,,,,,,,no,Corina,no,2LWM,RCSB,,,,, chem_comp,chem_comp_LWM,18640,90764,LWM,PDB,"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",DNA LINKING,LWM,LWM,no,2013-01-19,2013-01-19,HOLD,,,,LWM,42,24,,,,"InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1",,,,,,,,,,,,0,no,no,C11 H18 N5 O7 P,363.264,,,,,,,,,,,,,,,,,no,Corina,no,2LWM,RCSB,,,,, chem_comp,chem_comp_ZN,18642,90803,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,18650,90941,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,1866,91122,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,18664,91198,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DUP,18666,91236,DUP,PDB,"2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE",NON-POLYMER,DUP,DUP,no,2012-04-05,2012-04-05,REL,,,,DUP,44,28,,,,"InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,yes,C9 H16 N3 O13 P3,467.157,,,,,,,,,,,,,,,,,no,,no,1RN8,RCSB,,,,, chem_comp,chem_comp_M7G,18667,91256,M7G,PDB,7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE,NON-POLYMER,M7G,M7G,no,2012-04-05,2012-04-05,REL,,MDG,,M7G,48,29,,,,"InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,no,no,C11 H19 N5 O11 P2,459.243,,,,,,,,,,,,,,,,,no,,no,1EJ1,RCSB,,,,, chem_comp,chem_comp_ZN,18677,91442,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AP5,18685,91570,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-04-05,2012-04-05,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_ZN,18688,91622,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,18695,91753,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-04-05,2012-04-05,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_ZN,18700,91877,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HTS,18703,91943,HTS,PDB,2-MERCAPTOPHENOL,NON-POLYMER,HTS,HTS,no,2012-12-19,2012-12-19,REL,,,,HTS,14,8,,,,"InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",,,,,,,,,,,2-HYDROXYTHIOPHENOL,0,no,yes,C6 H6 O S,126.176,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_A2Y,18706,91998,A2Y,PDB,"(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium",NON-POLYMER,A2Y,A2Y,no,2012-09-15,2012-09-15,HOLD,,,,A2Y,45,22,,,,"InChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2/p+1/t12-,13+,14-,18-",,,,,,,,,,,,1,no,yes,C18 H23 N2 O S,315.453,,,,,,,,,,,,,,,,,no,Corina,no,2LY0,RCSB,,,,, chem_comp,chem_comp_CO,18708,92041,CO,PDB,COBALT (II) ION,NON-POLYMER,CO,CO,no,2012-04-05,2012-04-05,REL,,,,CO,1,1,,,,InChI=1S/Co/q+2,,,,,,,,,,,,2,,no,Co,58.933,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CU,18708,92042,CU,PDB,COPPER (II) ION,NON-POLYMER,CU,CU,no,2012-04-05,2012-04-05,REL,,,,CU,1,1,,,,InChI=1S/Cu/q+2,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PC8,18715,92197,PC8,PDB,"1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PC8,PC8,no,2012-04-05,2012-04-05,REL,,,,PC8,83,34,,,,"InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1",,,,,,,,,,,,1,no,no,C24 H49 N O8 P,510.622,,,,,,,,,,,,,,,,,no,,no,1TAJ,RCSB,,,,, chem_comp,chem_comp_8SP,18716,92217,8SP,PDB,"O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine",NON-POLYMER,8SP,8SP,no,2013-01-23,2013-01-23,HOLD,,,,8SP,76,34,,,,"InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1",,,,,,,,,,,,0,,no,C22 H42 N O10 P,511.543,,,,,,,,,,,,,,,,,no,Corina,no,2LYB,RCSB,,,,, chem_comp,chem_comp_FUC,18724,92383,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-04-05,2012-04-05,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,no,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_EDO,18724,92384,EDO,PDB,"1,2-ETHANEDIOL",NON-POLYMER,EDO,EDO,no,2012-04-05,2012-04-05,REL,,EGL,,EDO,10,4,,,,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",,,,,,,,,,,ETHYLENE GLYCOL,0,no,no,C2 H6 O2,62.068,,,,,,,,,,,,,,,,,no,,no,1ATG,RCSB,,,,, chem_comp,chem_comp_NH2,18736,92622,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,18749,92756,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,18750,92788,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_0R3,18755,92843,0R3,PDB,"{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid",NON-POLYMER,0R3,0R3,no,2012-05-19,2012-05-19,REL,,,,0R3,61,32,,,,"InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1",,,,,,,,,,,,0,,yes,C25 H29 Cl2 N O4,478.408,,,,,,,,,,,,,,,,,no,Corina,no,4ERF,RCSB,,,,, chem_comp,chem_comp_NH2,25321,126693,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_M3L,18764,93027,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,2012-04-05,2012-04-05,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_FME,18770,93141,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-04-05,2012-04-05,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_FME,18771,93161,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-04-05,2012-04-05,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_OMP,18775,93241,OMP,PDB,OROTIDINE-5'-MONOPHOSPHATE,NON-POLYMER,OMP,OMP,,2012-04-05,2012-04-05,REL,,,,OMP,37,24,,,,"InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C10 H13 N2 O11 P,368.191,,,,,,,,,,,,,,,,,no,Corina,no,1STO,RCSB,,,,, chem_comp,chem_comp_ZN,18778,93301,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HP6,18780,93355,HP6,PDB,HEPTANE,NON-POLYMER,HP6,HP6,no,2012-11-20,2012-11-20,REL,,,,HP6,23,7,,,,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,,,,,,,,,,0,no,no,C7 H16,100.202,,,,,,,,,,,,,,,,,no,,no,2ALG,RCSB,,,,, chem_comp,chem_comp_HP6,18781,93378,HP6,PDB,HEPTANE,NON-POLYMER,HP6,HP6,no,2012-11-20,2012-11-20,REL,,,,HP6,23,7,,,,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,,,,,,,,,,0,no,no,C7 H16,100.202,,,,,,,,,,,,,,,,,no,,no,2ALG,RCSB,,,,, chem_comp,chem_comp_PCA,18783,93417,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-04-05,2012-04-05,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19179,100914,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,18787,93482,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-04-05,2012-04-05,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,no,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_ZNH,18800,93715,ZNH,PDB,PROTOPORPHYRIN IX CONTAINING ZN,NON-POLYMER,ZNH,ZNH,yes,2012-04-05,2012-04-05,REL,,,,ZNH,75,43,,,,"InChI=1/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Zn/h39,41H;/q-2;m/rC34H32N4O4Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31-16-32-24(10-12-34(41)42)20(6)28-15-30-22(8-2)18(4)27-14-29(21)35(25)43(36(27)30,37(26)31)38(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H",,,,,,,,,,,,0,,yes,C34 H32 N4 O4 Zn,626.051,,,,,,,,,,,,,,,,,no,not provided,yes,1I55,RCSB,,,,, chem_comp,chem_comp_ZN,18806,93832,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-04-05,2012-04-05,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_M3L,18813,93963,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,2012-04-05,2012-04-05,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_CA,18816,94015,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-04-05,2012-04-05,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,18828,94261,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-04-05,2012-04-05,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_33B,18833,94356,33B,PDB,"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",NON-POLYMER,33B,33B,no,2012-11-20,2012-11-20,REL,,,,33B,46,32,,,,"InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+",,,,,,,,,,,,0,no,yes,C16 H14 Cl2 N4 O8 S2,525.340,,,,,,,,,,,,,,,,,no,Corina,no,2LP8,RCSB,,,,, chem_comp,chem_comp_33B,18834,94383,33B,PDB,"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",NON-POLYMER,33B,33B,no,2012-11-20,2012-11-20,REL,,,,33B,46,32,,,,"InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+",,,,,,,,,,,,0,,yes,C16 H14 Cl2 N4 O8 S2,525.340,,,,,,,,,,,,,,,,,no,Corina,no,2LP8,RCSB,,,,, chem_comp,chem_comp_D3N,18835,94409,D3N,PDB,1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one,DNA LINKING,D3N,D3N,no,2012-11-02,2012-11-02,HOLD,,,,D3N,43,26,,,,"InChI=1S/C16H17N2O7P/c19-12-7-14(25-13(12)8-24-26(21,22)23)18-11-6-2-4-9-3-1-5-10(15(9)11)17-16(18)20/h1-6,12-14,19H,7-8H2,(H,17,20)(H2,21,22,23)/t12-,13+,14+/m0/s1",,,,,,,,,,,,0,,yes,C16 H17 N2 O7 P,380.289,,,,,,,,,,,,,,,,,yes,Corina,no,4HQI,RCSB,,,,, chem_comp,chem_comp_ZN,18840,94528,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PL,18844,94638,PL,,,,,PL,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_LL5,18844,94639,LL5,PDB,"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",NON-POLYMER,LL5,LL5,no,2012-11-20,2012-11-20,REL,,,,LL5,45,23,,,,"InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1",,,,,,,,,,,,0,,yes,C16 H22 N4 O2 S,334.436,,,,,,,,,,,,,,,,,no,Corina,no,3Q0W,RCSB,,,,, chem_comp,chem_comp_ORI,18844,94640,ORI,,,,,ORI,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CA,18848,94716,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SET,1885,94750,SET,PDB,AMINOSERINE,L-PEPTIDE LINKING,SET,SET,no,1999-07-08,2011-12-14,REL,,,S,SET,15,7,,,,"InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1",,,,,SER,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,no,,no,1A7C,RCSB,,,,, chem_comp,chem_comp_CY3,1886,95005,CY3,PDB,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-PEPTIDE LINKING,CY3,CY3,no,1999-10-22,2011-12-14,REL,,,C,CY3,15,7,,,,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,,, chem_comp,chem_comp_ACE,18861,95036,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,25488,129591,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AIB,18861,95037,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_DIV,18861,95038,DIV,PDB,D-ISOVALINE,D-PEPTIDE LINKING,DIV,DIV,no,2012-11-20,2012-11-20,REL,,,V,DIV,19,8,,,,"InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,,no,1JOH,EBI,,,,, chem_comp,chem_comp_HYP,18861,95039,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_PHL,18861,95040,PHL,PDB,L-PHENYLALANINOL,L-PEPTIDE LINKING,PHL,PHL,no,2012-11-20,2012-11-20,REL,,,F,PHL,24,11,,,,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,Corina,no,1JOH,RCSB,,,,, chem_comp,chem_comp_GFL,18862,95059,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CY3,1887,95252,CY3,PDB,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-PEPTIDE LINKING,CY3,CY3,no,1999-10-22,2011-12-14,REL,,,C,CY3,15,7,,,,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,,, chem_comp,chem_comp_SP8a,18873,95318,SP8a,PDB,(CH2)3NH2 spacer,NON-POLYMER,SP8a,,no,2012-11-20,2012-11-20,REL,,,,,,,,,,,,,,,,,,,,,,0,,yes,C3 H8 N,,,,,,,,,,,,,,,,,,no,,no,,,,,,, chem_comp,chem_comp_NAG,18873,95319,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_ZN,25145,123583,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GAL,18873,95320,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_FUC,18873,95321,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_ACY,18873,95322,ACY,PDB,ACETIC ACID,NON-POLYMER,ACY,ACY,no,2012-11-20,2012-11-20,REL,,CBM,,ACY,8,4,,,,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",,,,,,,,,,,,0,,no,C2 H4 O2,60.052,,,,,,,,,,,,,,,,,no,Corina,no,1AA5,EBI,,,,, chem_comp,chem_comp_ZN,18874,95340,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ABU,18875,95361,ABU,PDB,GAMMA-AMINO-BUTANOIC ACID,NON-POLYMER,ABU,ABU,no,2012-11-20,2012-11-20,REL,,,,ABU,16,7,,,,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",,,,,,,,,,,GAMMA(AMINO)-BUTYRIC ACID,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1QUR,RCSB,,,,, chem_comp,chem_comp_A2G,18897,95826,A2G,PDB,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,A2G,A2G,no,2012-11-20,2012-11-20,REL,,,,A2G,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,1D0H,RCSB,,,,, chem_comp,chem_comp_NDG,18897,95827,NDG,PDB,2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE,D-SACCHARIDE,NDG,NDG,no,2012-11-20,2012-11-20,REL,,,,NDG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,1H15,EBI,,,,, chem_comp,chem_comp_GXL,18897,95828,GXL,PDB,ALPHA-L-GALACTOPYRANOSE,NON-POLYMER,GXL,GXL,no,2012-11-20,2012-11-20,REL,,,,GXL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,2BP6,EBI,,,,, chem_comp,chem_comp_GAL,18897,95829,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_HYP,18897,95830,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,18898,95851,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_1RG,18911,96118,1RG,PDB,"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",NON-POLYMER,1RG,1RG,no,2012-11-20,2012-11-20,REL,,,,1RG,60,33,,,,"InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1",,,,,,,,,,,"ERTAPENEM, bound form PRE-ISOMERIZED",0,,yes,C22 H27 N3 O7 S,477.531,,,,,,,,,,,,,,,,,no,Corina,no,3M6B,RCSB,,,,, chem_comp,chem_comp_ABA,18913,96156,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ABA,18914,96176,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_HEB,18919,96274,HEB,PDB,HEME B/C,NON-POLYMER,HEB,HEB,yes,2012-11-20,2012-11-20,REL,,,,HEB,77,43,,,,"InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H",,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1QQ3,RCSB,,,,, chem_comp,chem_comp_DPV,18929,96458,DPV,PDB,dodecyl 2-(trimethylammonio)ethyl phosphate,NON-POLYMER,DPV,DPV,no,2012-11-20,2012-11-20,REL,,,,DPV,61,23,,,,"InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3",,,,,,,,,,,dodecylphosphocholine,0,,no,C17 H38 N O4 P,351.462,,,,,,,,,,,,,,,,,no,Corina,no,3KYQ,PDBJ,,,,, chem_comp,chem_comp_PCA,1893,96474,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPV,18930,96489,DPV,PDB,dodecyl 2-(trimethylammonio)ethyl phosphate,NON-POLYMER,DPV,DPV,no,2012-11-20,2012-11-20,REL,,,,DPV,61,23,,,,"InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3",,,,,,,,,,,dodecylphosphocholine,0,,no,C17 H38 N O4 P,351.462,,,,,,,,,,,,,,,,,no,Corina,no,3KYQ,PDBJ,,,,, chem_comp,chem_comp_ABA,18931,96505,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_MG,18934,96544,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_DGT,18934,96545,DGT,PDB,2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,DGT,DGT,no,2012-11-20,2012-11-20,REL,,,,DGT,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,Corina,no,1HK8,RCSB,,,,, chem_comp,chem_comp_MG,18935,96567,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_DGT,18935,96568,DGT,PDB,2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,DGT,DGT,no,2012-11-20,2012-11-20,REL,,,,DGT,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,Corina,no,1HK8,RCSB,,,,, chem_comp,chem_comp_ABA,18937,96587,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_MG,18942,96680,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HYP,18942,96682,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,18942,96683,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,18943,96701,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_C5L,18950,96835,C5L,PDB,2'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate),RNA LINKING,C5L,C5L,no,2013-01-23,2013-01-23,HOLD,,,,C5L,48,26,,,,"InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-10(23-4-3-22-2)9(17)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1",,,,,C,,,,,,,0,,no,C13 H22 N3 O9 P,395.302,,,,,,,,,,,,,,,,,no,Corina,no,2M3F,RCSB,,,,, chem_comp,chem_comp_G48,18950,96836,G48,PDB,2'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE,RNA LINKING,G48,G48,no,2013-01-10,2013-01-10,REL,,,G,G48,48,28,,,,"InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-8(19)6(4-26-28(21,22)23)27-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1",,,,,G,,,,,,,0,,yes,C13 H20 N5 O9 P,421.300,,,,,,,,,,,,,,,,,no,Corina,no,468D,RCSB,,,,, chem_comp,chem_comp_A44,18950,96837,A44,PDB,2'-O-METHYOXYETHYL-ADENOSINE 5'-MONOPHOSPHATE,RNA LINKING,A44,A44,no,2013-01-10,2013-01-10,REL,,,A,A44,47,27,,,,"InChI=1S/C13H20N5O8P/c1-23-2-3-24-10-9(19)7(4-25-27(20,21)22)26-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1",,,,,A,,,,,,,0,,yes,C13 H20 N5 O8 P,405.300,,,,,,,,,,,,,,,,,no,Corina,no,468D,RCSB,,,,, chem_comp,chem_comp_T39,18950,96838,T39,PDB,2'-O-METHOXYETHYLENE THYMIDINE 5'-MONOPHOSPHATE,RNA LINKING,T39,T39,no,2013-01-11,2013-01-11,REL,,,T,T39,47,26,,,,"InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-10(23-4-3-22-2)9(16)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1",,,,,DT,,,,,,,0,,no,C13 H21 N2 O10 P,396.287,,,,,,,,,,,,,,,,,no,Corina,no,411D,RCSB,,,,, chem_comp,chem_comp_SEP,18952,96876,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,no,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_ZN,18955,96944,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,18956,96968,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LL5,18958,96995,LL5,PDB,"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",NON-POLYMER,LL5,LL5,no,2012-11-20,2012-11-20,REL,,,,LL5,45,23,,,,"InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1",,,,,,,,,,,,0,no,yes,C16 H22 N4 O2 S,334.436,,,,,,,,,,,,,,,,,no,Corina,no,3Q0W,RCSB,,,,, chem_comp,chem_comp_ORI,18958,96996,ORI,PDB,4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,NON-POLYMER,ORI,ORI,no,2013-03-12,2013-03-12,HOLD,,,,ORI,35,23,,,,"InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+",,,,,,,,,,,Orange I,0,,yes,C16 H12 N2 O4 S,328.342,,,,,,,,,,,,,,,,,no,Corina,no,3W79,PDBJ,,,,, chem_comp,chem_comp_ZN,18963,97052,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,18964,97073,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,18967,97124,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,18972,97231,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_8OG,18973,97250,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ORP,18973,97251,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_PSU,18974,97267,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,no,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_CA,18976,97307,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PO4,18977,97334,PO4,PDB,PHOSPHATE ION,NON-POLYMER,PO4,PO4,no,2012-11-20,2012-11-20,REL,,IPS,,PO4,5,5,,,,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,,, chem_comp,chem_comp_ORP,18979,97380,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_8OG,18979,97381,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ZN,18980,97398,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_1HF,18980,97399,1HF,PDB,"(3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid",NON-POLYMER,1HF,1HF,no,2013-02-07,2013-02-07,HOLD,,,,1HF,38,28,,,,"InChI=1S/C16H10N4O6S2/c21-14-12(6-8-2-1-5-26-8)27-16(18-14)20-19-13-10-7-9(28(23,24)25)3-4-11(10)17-15(13)22/h1-7H,(H,17,19,22)(H,18,20,21)(H,23,24,25)/b12-6-",,,,,,,,,,,,0,,yes,C16 H10 N4 O6 S2,418.404,,,,,,,,,,,,,,,,,no,Corina,no,2M3Z,RCSB,,,,, chem_comp,chem_comp_FES,19038,98388,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_3DR,18981,97416,3DR,PDB,"1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE",DNA LINKING,3DR,3DR,no,2012-11-20,2012-11-20,REL,,,N,3DR,23,12,,,,"InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1",,,,,,,,,,,ABASIC DIDEOXYRIBOSE,0,,no,C5 H11 O6 P,198.111,,,,,,,,,,,,,,,,,no,,no,1QUM,RCSB,,,,, chem_comp,chem_comp_8OG,18981,97417,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ORP,18984,97456,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,no,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_8OG,18984,97457,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,no,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ORP,18985,97473,ORP,PDB,2-DEOXY-5-PHOSPHONO-RIBOSE,SACCHARIDE,ORP,ORP,no,2012-11-20,2012-11-20,REL,,D1P,,ORP,24,13,,,,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",,,,,,,,,,,,0,no,no,C5 H11 O7 P,214.110,,,,,,,,,,,,,,,,,no,,no,1SJK,RCSB,,,,, chem_comp,chem_comp_8OG,18985,97474,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,no,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ZN,18990,97581,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FES,18991,97606,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_FES,18992,97625,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_HEC,190,97736,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,190,97737,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEM,19004,97846,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CYN,19004,97847,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_HEM,19005,97866,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CYN,19005,97867,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_GDP,19015,98071,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2012-11-20,2012-11-20,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,,, chem_comp,chem_comp_AM2,19018,98105,AM2,PDB,APRAMYCIN,NON-POLYMER,AM2,AM2,no,2012-11-20,2012-11-20,REL,,,,AM2,78,37,,,,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1",,,,,,,,,,,"NEBRAMYCIN II, 4-O-(3ALPHA-AMINO-6ALPHA-((4-AMINO-4-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY)-2,3,4,5ABETA,6,7,8,8AALPHA-OCTAHYDRO-8BETA-HYDROXY-7BETA-(METHYLAMINO)PYRANO(3,2-B)PYRAN-2ALPHA-YL)-2-DEOXY-D-STREPTAMINE",0,no,no,C21 H41 N5 O11,539.577,,,,,,,,,,,,,,,,,no,,no,1YRJ,RCSB,,,,, chem_comp,chem_comp_LCG,19035,98320,LCG,PDB,"[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE",RNA LINKING,LCG,LCG,no,2012-11-20,2012-11-20,REL,,,G,LCG,39,25,,,,"InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1",,,,,DG,,,,,,,0,no,yes,C11 H14 N5 O8 P,375.231,,,,,,,,,,,,,,,,,no,,no,1H0Q,EBI,,,,, chem_comp,chem_comp_NH2,19036,98346,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,no,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,19036,98347,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,no,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,19036,98348,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,19038,98386,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CAM,19038,98387,CAM,PDB,CAMPHOR,NON-POLYMER,CAM,CAM,no,2012-11-20,2012-11-20,REL,,,,CAM,27,11,,,,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",,,,,,,,,,,,0,,no,C10 H16 O,152.233,,,,,,,,,,,,,,,,,no,,no,6CP4,RCSB,,,,, chem_comp,chem_comp_GTP,19040,98441,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,RNA LINKING,GTP,GTP,no,2012-11-20,2012-11-20,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,,no,1QRA,EBI,,,,, chem_comp,chem_comp_MK8,19045,98540,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2012-11-20,2012-11-20,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_NLE,19045,98541,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,19045,98542,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,19047,98583,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_RTM,19048,98614,RTM,PDB,3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide,NON-POLYMER,RTM,RTM,no,2012-11-20,2012-11-20,REL,,,,RTM,48,23,,,,"InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)",,,,,,,,,,,,0,no,yes,C19 H25 N3 O,311.421,,,,,,,,,,,,,,,,,no,Corina,no,3RTM,RCSB,,,,, chem_comp,chem_comp_ZN,19048,98615,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19050,98666,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CRO,19069,99018,CRO,PDB,"{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",L-PEPTIDE LINKING,CRO,CRO,no,2012-11-20,2012-11-20,REL,,,GYG,CRO,40,23,,,,"InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1",,,,,"GLY, TYR, GLY",,,,,,PEPTIDE DERIVED CHROMOPHORE,0,,yes,C15 H17 N3 O5,319.313,,,,,,,,,,,,,,,,,no,Corina,no,1EMA,RCSB,,,,, chem_comp,chem_comp_AIB,19070,99038,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_GGL,19070,99039,GGL,PDB,GAMMA-L-GLUTAMIC ACID,"L-GAMMA-PEPTIDE, C-DELTA LINKING",GGL,GGL,no,2012-11-20,2012-11-20,REL,,,E,GGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,L-GLUTAMIC ACID,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_PLM,19070,99040,PLM,PDB,PALMITIC ACID,NON-POLYMER,PLM,PLM,no,2012-11-20,2012-11-20,REL,,"FAT,PLY",,PLM,50,18,,,,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",,,,,,,,,,,,0,,no,C16 H32 O2,256.424,,,,,,,,,,,,,,,,,no,,no,1LIE,PDBJ,,,,, chem_comp,chem_comp_NH2,19070,99041,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AIB,19071,99059,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_GGL,19071,99060,GGL,PDB,GAMMA-L-GLUTAMIC ACID,"L-GAMMA-PEPTIDE, C-DELTA LINKING",GGL,GGL,no,2012-11-20,2012-11-20,REL,,,E,GGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,L-GLUTAMIC ACID,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_PLM,19071,99061,PLM,PDB,PALMITIC ACID,NON-POLYMER,PLM,PLM,no,2012-11-20,2012-11-20,REL,,"FAT,PLY",,PLM,50,18,,,,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",,,,,,,,,,,,0,,no,C16 H32 O2,256.424,,,,,,,,,,,,,,,,,no,,no,1LIE,PDBJ,,,,, chem_comp,chem_comp_NH2,19071,99062,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,19074,99097,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PP9,19075,99113,PP9,PDB,PROTOPORPHYRIN IX,NON-POLYMER,PP9,PP9,no,2012-11-20,2012-11-20,REL,,,,PP9,76,42,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,,0,,yes,C34 H34 N4 O4,562.658,,,,,,,,,,,,,,,,,no,not provided,yes,1HRS,RCSB,,,,, chem_comp,chem_comp_HEB,19076,99129,HEB,PDB,HEME B/C,NON-POLYMER,HEB,HEB,yes,2012-11-20,2012-11-20,REL,,,,HEB,77,43,,,,"InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H",,,,,,,,,,,HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE),0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1QQ3,RCSB,,,,, chem_comp,chem_comp_ZN,19079,99179,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LL5,19079,99180,LL5,PDB,"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",NON-POLYMER,LL5,LL5,no,2012-11-20,2012-11-20,REL,,,,LL5,45,23,,,,"InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1",,,,,,,,,,,,0,no,yes,C16 H22 N4 O2 S,334.436,,,,,,,,,,,,,,,,,no,Corina,no,3Q0W,RCSB,,,,, chem_comp,chem_comp_LL2,19079,99181,LL2,PDB,"5-benzyl-1,3-thiazol-2-amine",NON-POLYMER,LL2,LL2,no,2012-11-20,2012-11-20,REL,,,,LL2,23,13,,,,"InChI=1S/C10H10N2S/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)",,,,,,,,,,,5-Benzyl-thiazol-2-ylmaine,0,no,yes,C10 H10 N2 S,190.265,,,,,,,,,,,,,,,,,no,Corina,no,3DND,PDBJ,,,,, chem_comp,chem_comp_C2F,19082,99237,C2F,PDB,"5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID",NON-POLYMER,C2F,C2F,no,2012-11-20,2012-11-20,REL,,,,C2F,58,33,,,,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1",,,,,,,,,,,,0,no,yes,C20 H25 N7 O6,459.456,,,,,,,,,,,,,,,,,no,,no,1TSN,EBI,,,,, chem_comp,chem_comp_PCA,1917,100746,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_UFP,19082,99238,UFP,PDB,5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE,DNA LINKING,UFP,UFP,no,2012-11-20,2012-11-20,REL,,,N,UFP,33,21,,,,"InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",,,,,,,,,,,,0,no,no,C9 H12 F N2 O8 P,326.172,,,,,,,,,,,,,,,,,no,,no,1TSN,RCSB,,,,, chem_comp,chem_comp_ADP,19089,99349,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_ADP,19090,99370,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_CA,19090,99371,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADP,19091,99389,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_MG,19091,99390,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ADP,19092,99407,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_ADP,19093,99425,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_MG,19093,99426,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_FME,19094,99442,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,no,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_FME,19101,99517,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,no,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_HYP,19102,99532,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,19102,99533,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HYP,19103,99548,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,no,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,19108,99634,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19109,99661,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,19112,99720,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_SEP,19112,99721,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_ACE,25322,126711,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CAM,19142,100217,CAM,PDB,CAMPHOR,NON-POLYMER,CAM,CAM,no,2012-11-20,2012-11-20,REL,,,,CAM,27,11,,,,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",,,,,,,,,,,,0,,no,C10 H16 O,152.233,,,,,,,,,,,,,,,,,no,,no,6CP4,RCSB,,,,, chem_comp,chem_comp_NH2,19142,100218,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCG,19145,100269,PCG,PDB,CYCLIC GUANOSINE MONOPHOSPHATE,NON-POLYMER,PCG,PCG,no,2012-11-20,2012-11-20,REL,,,,PCG,35,23,,,,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H12 N5 O7 P,345.205,,,,,,,,,,,,,,,,,no,,no,1BE4,RCSB,,,,, chem_comp,chem_comp_ZN,19146,100291,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19147,100309,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CYC,19150,100358,CYC,PDB,PHYCOCYANOBILIN,NON-POLYMER,CYC,CYC,no,2012-11-20,2012-11-20,REL,,,,CYC,83,43,,,,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1",,,,,,,,,,,,0,no,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,,no,1CPC,RCSB,,,,, chem_comp,chem_comp_FMN,19152,100393,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,no,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_GCH,19160,100558,GCH,PDB,GLYCOCHOLIC ACID,NON-POLYMER,GCH,GCH,no,2012-11-20,2012-11-20,REL,,,,GCH,76,33,,,,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,,, chem_comp,chem_comp_AIB,19180,100945,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_DAL,19180,100946,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,no,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19182,100976,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,19183,100994,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_OLA,19188,101080,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-11-20,2012-11-20,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_DAB,19190,101130,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,no,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_ORN,19190,101131,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,no,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DLY,19190,101132,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,no,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DPR,19190,101133,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,no,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,19192,101167,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_CA,19197,101263,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ION,19200,101330,ION,PDB,ARISTOLOCHENE,NON-POLYMER,ION,ION,no,2012-11-20,2012-11-20,REL,,,,ION,39,15,,,,"InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1",,,,,,,,,,,"6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE",0,,no,C15 H24,204.351,,,,,,,,,,,,,,,,,no,,no,1F1K,RCSB,,,,, chem_comp,chem_comp_ZN,19201,101350,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CGU,19202,101369,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,19202,101370,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,19206,101437,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADP,19208,101474,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_MG,19208,101475,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ARG,19208,101476,ARG,PDB,ARGININE,L-PEPTIDE LINKING,ARG,ARG,no,2012-11-20,2012-11-20,REL,,,R,ARG,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_NO3,19208,101477,NO3,PDB,NITRATE ION,NON-POLYMER,NO3,NO3,no,2012-11-20,2012-11-20,REL,,,,NO3,4,4,,,,InChI=1S/NO3/c2-1(3)4/q-1,,,,,,,,,,,,-1,,no,N O3,62.005,,,,,,,,,,,,,,,,,no,Corina V3.40,no,3LZT,RCSB,,,,, chem_comp,chem_comp_CA,19209,101495,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PVN,19213,101584,PVN,PDB,PHYCOVIOLOBILIN,NON-POLYMER,PVN,PVN,no,2012-11-20,2012-11-20,REL,,,,PVN,83,43,,,,"InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1",,,,,,,,,,,"Phycoviolobilin, bound form",0,no,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,Corina,no,2J96,RCSB,,,,, chem_comp,chem_comp_CYC,19214,101605,CYC,PDB,PHYCOCYANOBILIN,NON-POLYMER,CYC,CYC,no,2012-11-20,2012-11-20,REL,,,,CYC,83,43,,,,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,,no,1CPC,RCSB,,,,, chem_comp,chem_comp_CFZ,19226,101831,CFZ,PDB,2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate),DNA LINKING,CFZ,CFZ,no,2012-11-20,2012-11-20,REL,,,,CFZ,34,21,,,,"InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",,,,,DC,,,,,,,0,,no,C9 H13 F N3 O7 P,325.188,,,,,,,,,,,,,,,,,no,Corina,no,3AGV,PDBJ,,,,, chem_comp,chem_comp_GF2,19226,101832,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_AF2,19226,101833,AF2,PDB,2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate),DNA LINKING,AF2,AF2,no,2012-11-20,2012-11-20,REL,,,,AF2,36,23,,,,"InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1",,,,,DA,,,,,,,0,,yes,C10 H13 F N5 O6 P,349.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_TAF,19226,101834,TAF,PDB,2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-PHOSPHATE,DNA LINKING,TAF,TAF,no,2012-11-20,2012-11-20,REL,,,T,TAF,36,22,,,,"InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1",,,,,DT,,,,,,,0,,no,C10 H14 F N2 O8 P,340.199,,,,,,,,,,,,,,,,,no,,no,1DPN,RCSB,,,,, chem_comp,chem_comp_UFT,19226,101835,UFT,PDB,2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate),DNA LINKING,UFT,UFT,no,2012-11-20,2012-11-20,REL,,,U,UFT,33,21,,,,"InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",,,,,DU,,,,,,,0,,no,C9 H12 F N2 O8 P,326.172,,,,,,,,,,,,,,,,,no,Corina,no,3DD2,RCSB,,,,, chem_comp,chem_comp_CFL,19226,101836,CFL,PDB,4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,DNA LINKING,CFL,CFL,no,2012-11-20,2012-11-20,REL,,,C,CFL,34,21,,,,"InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",,,,,DC,,,,,,2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,0,,no,C9 H13 F N3 O7 P,325.188,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GFL,19226,101837,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19229,101894,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,no,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19236,102046,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,19237,102062,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,no,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HIS,19245,102203,HIS,PDB,HISTIDINE,L-PEPTIDE LINKING,HIS,HIS,no,2012-11-20,2012-11-20,REL,,,H,HIS,21,11,,,,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1",,,,,,,,,,,,1,,yes,C6 H10 N3 O2,156.162,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,EBI,,,,, chem_comp,chem_comp_ZN,19247,102237,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_KGM,19254,102359,KGM,PDB,Heptyl Alpha-D-mannopyrannoside,NON-POLYMER,KGM,KGM,no,2014-02-08,2014-02-08,REL,,,,KGM,45,19,,,,,,,,,,,,,,,,0,,no,C13 H26 O6,278.342,,,,,,,,,,,,,,,,,no,Corina,no,4BUQ,EBI,,,,, chem_comp,chem_comp_KGM,19256,102399,KGM,PDB,Heptyl Alpha-D-mannopyrannoside,NON-POLYMER,KGM,KGM,no,2014-02-08,2014-02-08,REL,,,,KGM,45,19,,,,,,,,,,,,,,,,0,,no,C13 H26 O6,278.342,,,,,,,,,,,,,,,,,no,Corina,no,4BUQ,EBI,,,,, chem_comp,chem_comp_FES,19273,102709,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,no,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_DBB,19275,102746,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,,2012-11-20,2012-11-20,REL,,,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_CA,19283,102919,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19286,102972,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BEF,19286,102973,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_ZN,19288,103009,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NAG,19292,103066,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_NAG,19296,103130,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_CA,19297,103148,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FMN,19301,103246,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_FAD,19301,103247,FAD,PDB,FLAVIN-ADENINE DINUCLEOTIDE,NON-POLYMER,FAD,FAD,no,2012-11-20,2012-11-20,REL,,,,FAD,86,53,,,,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",,,,,,,,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,no,,no,1B4V,EBI,,,,, chem_comp,chem_comp_BEZ,19305,103321,BEZ,PDB,BENZOIC ACID,NON-POLYMER,BEZ,BEZ,no,2012-11-20,2012-11-20,REL,,BOX,,BEZ,15,9,,,,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",,,,,,,,,,,,0,,yes,C7 H6 O2,122.121,,,,,,,,,,,,,,,,,no,Corina,no,1DJR,RCSB,,,,, chem_comp,chem_comp_NLE,19305,103322,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_M9P,19305,103323,M9P,PDB,"amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium",NON-POLYMER,M9P,M9P,no,2013-09-19,2013-09-19,HOLD,,,,M9P,31,15,,,,"InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1",,,,,,,,,,,,1,,no,C7 H16 F3 N4 O,229.223,,,,,,,,,,,,,,,,,no,Corina,no,2M9P,RCSB,,,,, chem_comp,chem_comp_BEZ,19306,103341,BEZ,PDB,BENZOIC ACID,NON-POLYMER,BEZ,BEZ,no,2012-11-20,2012-11-20,REL,,BOX,,BEZ,15,9,,,,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",,,,,,,,,,,,0,,yes,C7 H6 O2,122.121,,,,,,,,,,,,,,,,,no,Corina,no,1DJR,RCSB,,,,, chem_comp,chem_comp_NLE,19306,103342,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_M9P,19306,103343,M9P,PDB,"amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium",NON-POLYMER,M9P,M9P,no,2013-09-19,2013-09-19,HOLD,,,,M9P,31,15,,,,"InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1",,,,,,,,,,,,1,,no,C7 H16 F3 N4 O,229.223,,,,,,,,,,,,,,,,,no,Corina,no,2M9P,RCSB,,,,, chem_comp,chem_comp_MG,19307,103363,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_EVG,19309,103395,EVG,PDB,furan-2-sulfonamide,NON-POLYMER,EVG,EVG,no,2012-11-20,2012-11-20,REL,,,,EVG,14,9,,,,"InChI=1S/C4H5NO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)",,,,,,,,,,,,0,,yes,C4 H5 N O3 S,147.152,,,,,,,,,,,,,,,,,no,Corina,no,3S75,RCSB,,,,, chem_comp,chem_comp_ZN,19312,103436,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19315,103495,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19319,103549,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19322,103603,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19328,103708,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19329,103741,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19331,103788,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ILM,19355,104138,ILM,PDB,methyl L-isoleucinate,L-PEPTIDE NH3 AMINO TERMINUS,ILM,ILM,no,2013-07-31,2013-07-31,HOLD,,,,ILM,25,10,,,,"InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1",,,,,ILE,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,2MAI,RCSB,,,,, chem_comp,chem_comp_CA,19370,104402,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,19371,104420,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_IQG,19375,104474,IQG,PDB,"N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)",NON-POLYMER,IQG,IQG,no,2013-11-07,2013-11-07,HOLD,,,,IQG,60,38,,,,"InChI=1S/C21H22N9O7P/c1-29-11-5-10(15-9(3-2-4-23-15)16(11)26-20(29)22)25-21-27-18-17(19(32)28-21)24-8-30(18)14-6-12(31)13(37-14)7-36-38(33,34)35/h2-5,8,12-14,31H,6-7H2,1H3,(H2,22,26)(H2,33,34,35)(H2,25,27,28,32)/t12-,13+,14+/m0/s1",,,,,,,,,,,,0,,yes,C21 H22 N9 O7 P,543.429,,,,,,,,,,,,,,,,,yes,Corina,no,2MAV,RCSB,,,,, chem_comp,chem_comp_CA,19376,104496,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_0G,19381,104575,0G,PDB,L-GUANOSINE-5'-MONOPHOSPHATE,L-RNA LINKING,0G,0G,no,2012-11-20,2012-11-20,REL,,,G,0G,38,24,,,,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1",,,,,,,,,,,,0,,yes,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,Corina,no,1R3O,RCSB,,,,, chem_comp,chem_comp_PCA,19384,104630,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,19384,104631,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,19384,104632,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,19385,104651,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,19385,104652,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,19385,104653,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_N4S,19441,105684,N4S,PDB,N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate),DNA LINKING,N4S,N4S,no,2013-09-10,2013-09-10,HOLD,,,,N4S,70,33,,,,"InChI=1S/C19H37N6O7P/c20-6-3-9-21-7-1-2-8-22-10-4-11-23-17-5-12-25(19(27)24-17)18-13-15(26)16(32-18)14-31-33(28,29)30/h5,12,15-16,18,21-22,26H,1-4,6-11,13-14,20H2,(H,23,24,27)(H2,28,29,30)/t15-,16+,18+/m0/s1",,,,,,,,,,,,0,,no,C19 H37 N6 O7 P,492.507,,,,,,,,,,,,,,,,,yes,Corina,no,2MCJ,RCSB,,,,, chem_comp,chem_comp_L2H,19387,104689,L2H,PDB,"(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione",NON-POLYMER,L2H,L2H,no,2013-08-13,2013-08-13,HOLD,,,,L2H,84,50,,,,"InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1",,,,,,,,,,,Telomestatin derivative,0,,yes,C32 H34 N10 O8,686.675,,,,,,,,,,,,,,,,,no,Corina,no,2MB3,RCSB,,,,, chem_comp,chem_comp_5HC,19391,104780,5HC,PDB,2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate),DNA LINKING,5HC,5HC,no,2013-01-11,2013-01-11,REL,,,,5HC,38,22,,,,"InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,Corina,no,4GLC,RCSB,,,,, chem_comp,chem_comp_LL5,19395,104857,LL5,PDB,"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",NON-POLYMER,LL5,LL5,no,2012-11-20,2012-11-20,REL,,,,LL5,45,23,,,,"InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1",,,,,,,,,,,,0,,yes,C16 H22 N4 O2 S,334.436,,,,,,,,,,,,,,,,,no,Corina,no,3Q0W,RCSB,,,,, chem_comp,chem_comp_ORI,19395,104858,ORI,PDB,4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,NON-POLYMER,ORI,ORI,no,2013-03-12,2013-03-12,HOLD,,,,ORI,35,23,,,,"InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+",,,,,,,,,,,Orange I,0,,yes,C16 H12 N2 O4 S,328.342,,,,,,,,,,,,,,,,,no,Corina,no,3W79,PDBJ,,,,, chem_comp,chem_comp_BGM,19402,104983,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_1YO,19414,105190,1YO,PDB,"3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine",NON-POLYMER,1YO,1YO,no,2013-08-07,2013-08-07,HOLD,,,,1YO,27,15,,,,"InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3",,,,,,,,,,,,0,,yes,C10 H12 N4 S,220.294,,,,,,,,,,,,,,,,,no,Corina,no,2MBU,RCSB,,,,, chem_comp,chem_comp_ZN,19415,105210,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,19602,108688,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_BB9,19421,105300,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-11-20,2012-11-20,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_DHA,19421,105301,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_NH2,19421,105302,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_MOZ,19421,105303,MOZ,PDB,(2Z)-2-amino-3-hydroxybut-2-enoic acid,PEPTIDE LINKING,MOZ,MOZ,no,2013-10-10,2013-10-10,HOLD,,,,MOZ,15,8,,,,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2-",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,Corina,no,2MBZ,PDBJ,,,,, chem_comp,chem_comp_MH7,19421,105304,MH7,PDB,N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide,NON-POLYMER,MH7,MH7,no,2013-09-10,2013-09-10,HOLD,,,,MH7,62,27,,,,"InChI=1S/C20H35N5O2/c1-4-6-12-21-20-22-14-17(19(27)25(3)13-7-5-2)18(24-20)23-15-8-10-16(26)11-9-15/h14-16,26H,4-13H2,1-3H3,(H2,21,22,23,24)/t15-,16-",,,,,,,,,,,,0,,yes,C20 H35 N5 O2,377.524,,,,,,,,,,,,,,,,,no,Corina,no,4MH7,RCSB,,,,, chem_comp,chem_comp_DBU,19422,105335,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_MH6,19422,105336,MH6,PDB,3-hydroxy-2-iminopropanoic acid,PEPTIDE LINKING,MH6,MH6,no,2012-11-20,2012-11-20,REL,,,,MH6,12,7,,,,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+",,,,,SER,,,,,,,0,,no,C3 H5 N O3,103.077,,,,,,,,,,,,,,,,,no,Corina,no,3CF5,EBI,,,,, chem_comp,chem_comp_DHA,19422,105337,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_NH2,19422,105338,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_3GL,19422,105339,3GL,PDB,"(2S,4S)-2-amino-4-hydroxy-pentanedioic acid",L-PEPTIDE LINKING,3GL,3GL,no,2012-11-20,2012-11-20,REL,,,,3GL,20,11,,,,"InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1",,,,,GLU,,,,,,4-HYDROXY-GLUTAMIC-ACID,0,,no,C5 H9 N O5,163.129,,,,,,,,,,,,,,,,,no,Corina,no,2ZJP,EBI,,,,, chem_comp,chem_comp_NO1,19422,105340,NO1,PDB,4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid,NON-POLYMER,NO1,NO1,no,2012-11-20,2012-11-20,REL,,,,NO1,26,15,,,,"InChI=1S/C11H11NO3/c1-6-9-7(5-13)3-2-4-8(9)12-10(6)11(14)15/h2-4,12-13H,5H2,1H3,(H,14,15)",,,,,,,,,,,,0,,yes,C11 H11 N O3,205.210,,,,,,,,,,,,,,,,,no,Corina,no,2ZJP,EBI,,,,, chem_comp,chem_comp_BB9,19422,105341,BB9,PDB,(2Z)-2-amino-3-sulfanylprop-2-enoic acid,PEPTIDE LINKING,BB9,BB9,no,2012-11-20,2012-11-20,REL,,,C,BB9,12,7,,,,"InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-",,,,,CYS,,,,,,,0,,no,C3 H5 N O2 S,119.142,,,,,,,,,,,,,,,,,no,Corina,no,2C77,EBI,,,,, chem_comp,chem_comp_PTR,19423,105373,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_RUL,19435,105567,RUL,PDB,"tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)",NON-POLYMER,RUL,RUL,no,2013-09-10,2013-09-10,HOLD,,,,RUL,124,80,,,,InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2,,,,,,,,,,,,4,,yes,C64 H44 N14 Ru2,1211.268,,,,,,,,,,,,,,,,,no,Corina,yes,2MCC,RCSB,,,,, chem_comp,chem_comp_DPC,19437,105609,DPC,PDB,"5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID",NON-POLYMER,DPC,DPC,no,2012-11-20,2012-11-20,REL,,,,DPC,55,28,,,,"InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1",,,,,,,,,,,,0,,yes,C20 H27 N3 O5,389.445,,,,,,,,,,,,,,,,,no,,no,1A4Q,RCSB,,,,, chem_comp,chem_comp_2FJ,19448,105805,2FJ,PDB,"tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer",NON-POLYMER,2FJ,2FJ,no,2013-10-09,2013-10-09,HOLD,,,,2FJ,124,80,,,,InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2,,,,,,,,,,,,4,,yes,C64 H44 N14 Ru2,1211.268,,,,,,,,,,,,,,,,,no,Corina,yes,2MCO,RCSB,,,,, chem_comp,chem_comp_NA,19448,105806,NA,PDB,SODIUM ION,NON-POLYMER,NA,NA,no,2012-11-20,2012-11-20,REL,,,,NA,1,1,,,,InChI=1S/Na/q+1,,,,,,,,,,,,1,,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,19450,105840,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,19454,105913,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,19455,105946,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,19456,105976,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,19457,106004,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,19472,106275,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19473,106298,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19486,106520,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADP,19510,106936,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_ZN,19522,107185,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19540,107485,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,19555,107829,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_HYP,19556,107847,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_CD,19557,107866,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_PTR,19562,107968,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FOL,19563,108000,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_THG,19564,108019,THG,PDB,"(6S)-5,6,7,8-TETRAHYDROFOLATE",NON-POLYMER,THG,THG,no,2012-11-20,2012-11-20,REL,,,,THG,55,32,,,,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H23 N7 O6,445.429,,,,,,,,,,,,,,,,,no,,no,1KZI,EBI,,,,, chem_comp,chem_comp_NDP,19565,108041,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_THG,19565,108042,THG,PDB,"(6S)-5,6,7,8-TETRAHYDROFOLATE",NON-POLYMER,THG,THG,no,2012-11-20,2012-11-20,REL,,,,THG,55,32,,,,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H23 N7 O6,445.429,,,,,,,,,,,,,,,,,no,,no,1KZI,EBI,,,,, chem_comp,chem_comp_NDP,19566,108063,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_NDP,19567,108085,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_FOL,19567,108086,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_ABA,19577,108255,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ABA,19578,108274,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ACE,19580,108314,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,19580,108315,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ABA,19587,108432,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_XR2,19592,108501,XR2,PDB,"1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM",NON-POLYMER,XR2,XR2,no,2012-11-20,2012-11-20,REL,,,,XR2,82,44,,,,"InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)/p+4",,,,,,,,,,,,4,,yes,C34 H38 N8 O2,590.718,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19593,108519,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,19593,108520,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PQ3,19594,108541,PQ3,PDB,"N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide",NON-POLYMER,PQ3,PQ3,no,2013-11-14,2013-11-14,HOLD,,,,PQ3,68,42,,,,"InChI=1S/C34H26N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3,(H,35,41)(H,36,42)",,,,,,,,,,,Phen-DC3,0,,yes,C34 H26 N6 O2,550.609,,,,,,,,,,,,,,,,,no,Corina,yes,2MGN,RCSB,,,,, chem_comp,chem_comp_ZN,25149,123661,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,19602,108689,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,19602,108690,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19604,108736,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PKA,19608,108814,PKA,PDB,N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide,NON-POLYMER,PKA,PKA,no,2013-11-20,2013-11-20,HOLD,,,,PKA,46,25,,,,"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1",,,,,,,,,,,,0,,yes,C21 H21 Cl N2 O,352.857,,,,,,,,,,,,,,,,,no,Corina,no,2MGY,RCSB,,,,, chem_comp,chem_comp_DBU,19619,109008,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAL,19619,109009,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DHA,19619,109010,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_DBB,19619,109011,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,,2012-11-20,2012-11-20,REL,,,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_HYP,19619,109012,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_TEE,19619,109013,TEE,PDB,2-AMINO-ETHENETHIOL,NON-POLYMER,TEE,TEE,no,2012-11-20,2012-11-20,REL,,,,TEE,9,4,,,,"InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-",,,,,,,,,,,2-THIOETHENAMINE,0,,no,C2 H5 N S,75.133,,,,,,,,,,,,,,,,,yes,,no,1MQX,PDBJ,,,,, chem_comp,chem_comp_5CW,19619,109014,5CW,PDB,5-chloro-L-tryptophan,L-PEPTIDE LINKING,5CW,5CW,no,2013-12-10,2013-12-10,HOLD,,,W,5CW,27,16,,,,"InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1",,,,,TRP,,,,,,,0,,yes,C11 H11 Cl N2 O2,238.670,,,,,,,,,,,,,,,,,yes,Corina,no,2MH5,RCSB,,,,, chem_comp,chem_comp_EDI,19620,109035,EDI,PDB,2'-deoxy-1-(2-iodoethyl)inosine,DNA LINKING,EDI,EDI,no,2014-06-27,2014-06-27,REL,,,,EDI,41,25,,,,"InChI=1S/C12H16IN4O7P/c13-1-2-16-5-15-11-10(12(16)19)14-6-17(11)9-3-7(18)8(24-9)4-23-25(20,21)22/h5-9,18H,1-4H2,(H2,20,21,22)/t7-,8+,9+/m0/s1",,,,,,,,,,,,0,,yes,C12 H16 I N4 O7 P,486.156,,,,,,,,,,,,,,,,,yes,Corina,no,2MH6,RCSB,,,,, chem_comp,chem_comp_FES,19622,109079,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_CYC,19629,109209,CYC,PDB,PHYCOCYANOBILIN,NON-POLYMER,CYC,CYC,no,2012-11-20,2012-11-20,REL,,,,CYC,83,43,,,,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,,no,1CPC,RCSB,,,,, chem_comp,chem_comp_HEC,19638,109328,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_PTR,19655,109591,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PTR,19656,109610,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_A2G,19759,111528,A2G,PDB,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,A2G,A2G,no,2012-11-20,2012-11-20,REL,,,,A2G,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,1D0H,RCSB,,,,, chem_comp,chem_comp_RBD,19659,109664,RBD,PDB,"(R,R)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate",DNA LINKING,RBD,RBD,no,2014-01-08,2014-01-08,HOLD,,,,RBD,50,28,,,,"InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8+,9+,10+,11+/m0/s1",,,,,DA,,,,,,,0,,yes,C14 H22 N5 O8 P,419.327,,,,,,,,,,,,,,,,,yes,Corina,no,2MHX,RCSB,,,,, chem_comp,chem_comp_SDE,19661,109707,SDE,PDB,"(S,S)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate",DNA LINKING,SDE,SDE,no,2014-01-08,2014-01-08,HOLD,,,,SDE,50,28,,,,"InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8-,9-,10+,11+/m0/s1",,,,,DA,,,,,,,0,,yes,C14 H22 N5 O8 P,419.327,,,,,,,,,,,,,,,,,yes,Corina,no,2MHZ,RCSB,,,,, chem_comp,chem_comp_SFQ,19664,109779,SFQ,PDB,2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid,NON-POLYMER,SFQ,SFQ,no,2013-12-25,2013-12-25,HOLD,,,,SFQ,30,20,,,,"InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)",,,,,,,,,,,,0,,yes,C13 H10 I N O4 S,403.192,,,,,,,,,,,,,,,,,no,Corina,no,2MI3,PDBJ,,,,, chem_comp,chem_comp_NLE,1968,110025,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,19682,110080,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_entity_GLC,19683,110109,entity_GLC,PDB,entity GLC,SACCHARIDE,entity_GLC,entity_GLC,no,2012-11-20,2012-11-20,REL,,AGC,,entity_GLC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1ANF,EBI,,,,, chem_comp,chem_comp_MG,19692,110243,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HOH,19692,110244,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ZN,19694,110288,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_I4G,19882,113521,I4G,PDB,N-(2-methylpropyl)glycine,L-PEPTIDE LINKING,I4G,I4G,no,2014-04-05,2014-04-05,HOLD,,,,I4G,22,9,,,,"InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)",,,,,GLY,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,2MMJ,PDBJ,,,,, chem_comp,chem_comp_2QL,19695,110310,2QL,PDB,"(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol",NON-POLYMER,2QL,2QL,no,2014-01-10,2014-01-10,HOLD,,,,2QL,45,27,,,,"InChI=1S/C24H18O3/c25-19-11-17-18(23(26)24(19)27)10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)22(17)21(13)20(12)15/h1-10,19,23-27H,11H2/t19-,23-,24-/m1/s1",,,,,,,,,,,,0,,yes,C24 H18 O3,354.398,,,,,,,,,,,,,,,,,no,Corina,no,2MIV,RCSB,,,,, chem_comp,chem_comp_2QL,19696,110330,2QL,PDB,"(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol",NON-POLYMER,2QL,2QL,no,2014-01-10,2014-01-10,HOLD,,,,2QL,45,27,,,,"InChI=1S/C24H18O3/c25-19-11-17-18(23(26)24(19)27)10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)22(17)21(13)20(12)15/h1-10,19,23-27H,11H2/t19-,23-,24-/m1/s1",,,,,,,,,,,,0,,yes,C24 H18 O3,354.398,,,,,,,,,,,,,,,,,no,Corina,no,2MIV,RCSB,,,,, chem_comp,chem_comp_PRF,19698,110367,PRF,PDB,7-DEAZA-7-AMINOMETHYL-GUANINE,NON-POLYMER,PRF,PRF,no,2012-11-20,2012-11-20,REL,,,,PRF,22,13,,,,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",,,,,,,,,,,,0,,yes,C7 H9 N5 O,179.179,,,,,,,,,,,,,,,,,no,,no,1EFZ,RCSB,,,,, chem_comp,chem_comp_ZN,19716,110711,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FES,19717,110730,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_FES,19718,110752,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_KET,19727,110929,KET,PDB,2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID,NON-POLYMER,KET,KET,no,2012-11-20,2012-11-20,REL,,,,KET,40,24,,,,"InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1",,,,,,,,,,,PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE,1,,yes,C12 H16 N2 O9 P,363.237,,,,,,,,,,,,,,,,,no,,yes,1MAP,RCSB,,,,, chem_comp,chem_comp_ALY,19738,111137,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_HEM,19740,111178,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CAM,19740,111179,CAM,PDB,CAMPHOR,NON-POLYMER,CAM,CAM,no,2012-11-20,2012-11-20,REL,,,,CAM,27,11,,,,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",,,,,,,,,,,,0,,no,C10 H16 O,152.233,,,,,,,,,,,,,,,,,no,,no,6CP4,RCSB,,,,, chem_comp,chem_comp_CYN,19740,111180,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_CIR,19742,111219,CIR,PDB,CITRULLINE,L-PEPTIDE LINKING,CIR,CIR,no,2012-11-20,2012-11-20,REL,,,R,CIR,25,12,,,,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",,,,,ARG,,,,,,,0,,no,C6 H13 N3 O3,175.186,,,,,,,,,,,,,,,,,no,Corina,no,1KOD,RCSB,,,,, chem_comp,chem_comp_CIR,19744,111249,CIR,PDB,CITRULLINE,L-PEPTIDE LINKING,CIR,CIR,no,2012-11-20,2012-11-20,REL,,,R,CIR,25,12,,,,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",,,,,ARG,,,,,,,0,,no,C6 H13 N3 O3,175.186,,,,,,,,,,,,,,,,,no,Corina,no,1KOD,RCSB,,,,, chem_comp,chem_comp_BGC,19748,111321,BGC,PDB,BETA-D-GLUCOSE,SACCHARIDE,BGC,BGC,no,2012-11-20,2012-11-20,REL,,,,BGC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1GU3,EBI,,,,, chem_comp,chem_comp_GAL,19748,111322,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_FUC,19748,111323,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_ACE,19759,111526,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HEM,19763,111550,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_ZN,19771,111699,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19789,111971,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19816,112320,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,19817,112346,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CYN,19819,112390,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_NH2,19882,113522,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_I4G,19883,113541,I4G,PDB,N-(2-methylpropyl)glycine,L-PEPTIDE LINKING,I4G,I4G,no,2014-04-05,2014-04-05,HOLD,,,,I4G,22,9,,,,"InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)",,,,,GLY,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,2MMJ,PDBJ,,,,, chem_comp,chem_comp_DHE,19822,112426,DHE,PDB,HEME D,NON-POLYMER,DHE,DHE,yes,2012-11-20,2012-11-20,REL,,,,DHE,81,49,,,,"InChI=1/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/t33-,34-;/m1./s1/fC34H32N4O10.Fe/h39,41,43,45H;/q-2;m/b19-9-,20-11-,21-10-,22-10-,23-9-,24-12-,25-11-,26-12-;/rC34H32FeN4O10/c1-15-17(5-7-27(40)41)21-10-22-18(6-8-28(42)43)16(2)20-11-25-33(3,13-29(44)45)32(49)24-12-26-34(4,14-30(46)47)31(48)23-9-19(15)36(21)35(37(20)22,38(23)26)39(24)25/h9-12H,5-8,13-14H2,1-4H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)/t33-,34-/m1/s1/f/h40,42,44,46H",,,,,,,,,,,,0,,yes,C34 H32 Fe N4 O10,712.484,,,,,,,,,,,,,,,,,no,not provided,yes,1AOF,RCSB,,,,, chem_comp,chem_comp_2W7,19826,112492,2W7,PDB,"N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide",NON-POLYMER,2W7,2W7,no,2014-03-14,2014-03-14,HOLD,,,,2W7,48,24,,,,"InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19-",,,,,,,,,,,,0,,yes,C19 H24 N2 O2 S,344.471,,,,,,,,,,,,,,,,,no,Corina,no,2MLM,RCSB,,,,, chem_comp,chem_comp_GCH,19843,112809,GCH,PDB,GLYCOCHOLIC ACID,NON-POLYMER,GCH,GCH,no,2012-11-20,2012-11-20,REL,,,,GCH,76,33,,,,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,,, chem_comp,chem_comp_CHO,19843,112810,CHO,PDB,GLYCOCHENODEOXYCHOLIC ACID,NON-POLYMER,CHO,CHO,no,2012-12-21,2012-12-21,REL,,,,CHO,75,32,,,,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",,,,,,,,,,,,0,,no,C26 H43 N O5,449.623,,,,,,,,,,,,,,,,,yes,Corina,no,1FMC,RCSB,,,,, chem_comp,chem_comp_FAG,19853,113003,FAG,PDB,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA LINKING,FAG,FAG,no,2012-11-20,2012-11-20,REL,,,N,FAG,76,48,,,,"InChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1",,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,OpenEye/OEToolkits V1.4.2,no,1HM1,RCSB,,,,, chem_comp,chem_comp_ZN,19855,113041,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_I4G,19856,113064,I4G,PDB,N-(2-methylpropyl)glycine,L-PEPTIDE LINKING,I4G,I4G,no,2014-04-05,2014-04-05,HOLD,,,,I4G,22,9,,,,"InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)",,,,,GLY,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,2MMJ,PDBJ,,,,, chem_comp,chem_comp_NH2,19856,113065,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_UNX,19856,113066,UNX,PDB,UNKNOWN ATOM OR ION,NON-POLYMER,UNX,UNX,yes,2012-11-20,2012-11-20,REL,,DUM,,UNX,1,1,,,,,,,,,,,,,,,,0,,no,X,0.000,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_PTR,19857,113087,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,19857,113088,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_ZN,19857,113089,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,19858,113112,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_ZN,19858,113113,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FAG,19861,113174,FAG,PDB,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA LINKING,FAG,FAG,no,2012-11-20,2012-11-20,REL,,,N,FAG,76,48,,,,"InChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1",,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,OpenEye/OEToolkits V1.4.2,no,1HM1,RCSB,,,,, chem_comp,chem_comp_TPO,19934,114242,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_FAG,19862,113193,FAG,PDB,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA LINKING,FAG,FAG,no,2012-11-20,2012-11-20,REL,,,N,FAG,76,48,,,,"InChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1",,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,OpenEye/OEToolkits V1.4.2,no,1HM1,RCSB,,,,, chem_comp,chem_comp_FAG,19863,113212,FAG,PDB,"[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP",DNA LINKING,FAG,FAG,no,2012-11-20,2012-11-20,REL,,,N,FAG,76,48,,,,"InChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1",,,,,,,,,,,,0,,yes,C27 H28 N5 O15 P,693.509,,,,,,,,,,,,,,,,,yes,OpenEye/OEToolkits V1.4.2,no,1HM1,RCSB,,,,, chem_comp,chem_comp_7GU,19863,113213,7GU,PDB,7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,7GU,7GU,no,2012-11-20,2012-11-20,REL,,,G,7GU,38,23,,,,"InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1",,,,,DG,,,,,,,0,,yes,C11 H15 N4 O7 P,346.233,,,,,,,,,,,,,,,,,yes,,no,1U1M,RCSB,,,,, chem_comp,chem_comp_H2U,19873,113364,H2U,PDB,"5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE",RNA LINKING,H2U,H2U,no,2012-11-20,2012-11-20,REL,,DHU,U,H2U,36,21,,,,"InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",,,,,U,,,,,,,0,,no,C9 H15 N2 O9 P,326.197,,,,,,,,,,,,,,,,,no,,no,1EVV,EBI,,,,, chem_comp,chem_comp_PCA,19880,113474,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,19883,113542,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_3BF,19888,113623,3BF,PDB,thiazotropsin B,NON-POLYMER,3BF,3BF,no,2014-07-18,2014-07-18,HOLD,,,,3BF,75,39,,,,"InChI=1S/C25H35N9O4S/c1-14(2)20-19(23(37)26-9-8-10-32(4)5)30-25(39-20)31-22(36)17-11-16(12-33(17)6)28-24(38)21-29-18(13-34(21)7)27-15(3)35/h11-14H,8-10H2,1-7H3,(H,26,37)(H,27,35)(H,28,38)(H,30,31,36)/p+1",,,,,,,,,,,"3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium",1,,yes,C25 H36 N9 O4 S,558.676,,,,,,,,,,,,,,,,,no,Corina,no,2MND,RCSB,,,,, chem_comp,chem_comp_3B5,19889,113643,3B5,PDB,AIK-18/51,NON-POLYMER,3B5,3B5,no,2014-07-17,2014-07-17,HOLD,,,,3B5,82,44,,,,"InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1",,,,,,,,,,,"N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium",1,,yes,C30 H38 N9 O4 S,620.746,,,,,,,,,,,,,,,,,no,Corina,no,2MNE,RCSB,,,,, chem_comp,chem_comp_ACE,19902,113761,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ACE,19911,113908,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,19911,113909,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_6HB,19912,113927,6HB,PDB,2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate),DNA LINKING,6HB,6HB,no,2014-04-19,2014-04-19,HOLD,,,,6HB,47,27,,,,"InChI=1S/C14H20N5O7P/c1-2-8(20)4-15-13-12-14(17-6-16-13)19(7-18-12)11-3-9(21)10(26-11)5-25-27(22,23)24/h2,6-11,20-21H,1,3-5H2,(H,15,16,17)(H2,22,23,24)/t8-,9-,10+,11+/m0/s1",,,,,DA,,,,,,,0,,yes,C14 H20 N5 O7 P,401.312,,,,,,,,,,,,,,,,,yes,Corina,no,2MNX,RCSB,,,,, chem_comp,chem_comp_ZN,19913,113954,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19914,113972,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DT7,19916,114003,DT7,PDB,"6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide",NON-POLYMER,DT7,DT7,no,2012-11-20,2012-11-20,REL,,,,DT7,34,18,,,,"InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)",,,,,,,,,,,,0,,yes,C11 H16 N2 O4 S,272.321,,,,,,,,,,,,,,,,,no,Corina,no,3IGP,PDBJ,,,,, chem_comp,chem_comp_5OC,19917,114019,5OC,PDB,2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate),DNA LINKING,5OC,5OC,no,2012-11-20,2012-11-20,REL,,,,5OC,35,21,,,,"InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1",,,,,,,,,,,,0,,no,C9 H14 N3 O8 P,323.197,,,,,,,,,,,,,,,,,no,Corina,no,3TAB,RCSB,,,,, chem_comp,chem_comp_OLA,19921,114037,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-11-20,2012-11-20,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_SEC,19923,114072,SEC,PDB,SELENOCYSTEINE,L-PEPTIDE LINKING,SEC,SEC,no,2014-01-15,2014-01-15,REL,,,,SEC,14,7,,,,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 Se,168.053,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,19929,114153,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,19929,114154,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,19931,114191,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_81S,19932,114207,81S,PDB,"(4S)-4,5-disulfanyl-L-norvaline",L-PEPTIDE LINKING,81S,81S,no,2014-02-20,2014-02-20,HOLD,,,,81S,21,10,,,,"InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1",,,,,,,,,,,,0,,no,C5 H11 N O2 S2,181.276,,,,,,,,,,,,,,,,,yes,Corina,no,4OS1,RCSB,,,,, chem_comp,chem_comp_NH2,19932,114208,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,20017,115701,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PTR,19934,114243,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,19935,114263,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,19935,114264,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADP,19935,114265,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_TPO,19936,114285,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,19936,114286,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LPD,2048,117822,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_ADP,19937,114307,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_TPO,19937,114308,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,19937,114309,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,19939,114351,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_FMN,19945,114439,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_IOR,19953,114592,IOR,PDB,"N~5~-[(2S,4S,5R)-4-hydroxy-5-methylimidazolidin-2-yl]-L-ornithine",L-PEPTIDE LINKING,IOR,IOR,no,2014-05-28,2014-05-28,HOLD,,,,IOR,36,16,,,,"InChI=1S/C9H20N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-7,9,11-14H,2-4,10H2,1H3,(H,15,16)/t5-,6+,7+,9+/m1/s1",,,,,,,,,,,,0,,no,C9 H20 N4 O3,232.280,,,,,,,,,,,,,,,,,yes,Corina,no,2MOV,RCSB,,,,, chem_comp,chem_comp_PO3,19958,114669,PO3,PDB,PHOSPHITE ION,NON-POLYMER,PO3,PO3,no,2012-11-20,2012-11-20,REL,,,,PO3,4,4,,,,InChI=1S/O3P/c1-4(2)3/q-3,,,,,,,,,,,,-3,,no,O3 P,78.972,,,,,,,,,,,,,,,,,no,,no,1SHD,EBI,,,,, chem_comp,chem_comp_ZN,19959,114689,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,19968,114834,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,19973,114923,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AIB,19978,114998,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_HEM,19985,115120,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_ZN,19986,115141,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TYS,19989,115199,TYS,PDB,O-SULFO-L-TYROSINE,L-PEPTIDE LINKING,TYS,TYS,no,2012-11-27,2012-11-27,REL,,STY,Y,TYS,28,17,,,,"InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ACE,20010,115570,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 11:31:41 2011",, chem_comp,chem_comp_NH2,20010,115571,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 11:32:52 2011",, chem_comp,chem_comp_NH2,20012,115605,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,20013,115622,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,20016,115683,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PND,20019,115738,PND,,P-NITROPHENYLHYDRAZINE,non-polymer,,PND,,,,,,,,,,,,,,,,,,,,,PND,,,,,0,,yes,C6 H7 N3 O2,153.139,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:30:47 2008",, chem_comp,chem_comp_PND,20020,115774,PND,,P-NITROPHENYLHYDRAZINE,non-polymer,,PND,,,,,,,,,,,,,,,,,,,,,PND,,,,,0,,yes,C6 H7 N3 O2,153.139,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:30:47 2008",, chem_comp,chem_comp_NH2,20022,115796,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,20023,115814,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,20023,115815,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HYP,20024,115840,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-04-05,2012-04-05,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_GLP,20025,115858,GLP,,GLUCOSAMINE 6-PHOSPHATE,SACCHARIDE,,GLP,no,1999-07-08,2011-06-04,REL,,,,GLP,,,,,,,,,,,,,,,,,,0,,no,C6 H14 N O8 P,259.151,,,,,,,,,,,,,,,,,no,,no,1MOQ,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 14:32:30 2011",, chem_comp,chem_comp_SEP,20028,115922,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,,,,,,,,,,,,,,,,,,,,,SEP,,,,,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:49:03 2008",, chem_comp,chem_comp_ABA,20033,116046,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_NH2,20033,116047,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,20034,116072,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DPN,20037,116106,DPN,,D-PHENYLALANINE,L-peptide linking,,DPN,,,,,,,,,,,,,,,,,,,,,DPN,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:42:00 2008",, chem_comp,chem_comp_DTR,20038,116123,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DLY,20039,116140,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DPN,20040,116157,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_DTR,20040,116158,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DLY,20040,116159,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DTR,20041,116176,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DLY,20041,116177,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DLY,20042,116194,DLY,,D-LYSINE,D-peptide linking,,DLY,,,,,,,,,,,,,,,,,,,,,DLY,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:39:03 2008",, chem_comp,chem_comp_DTH,20042,116195,DTH,,D-THREONINE,D-peptide linking,,DTH,,,,,,,,,,,,,,,,,,,,,DTH,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:44:42 2008",, chem_comp,chem_comp_DTR,20043,116212,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DTH,20043,116213,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,20050,116367,DPR,,D-PROLINE,D-peptide linking,,DPR,,,,,,,,,,,,,,,,,,,,,DPR,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:42:06 2008",, chem_comp,chem_comp_ACE,20054,116445,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,20054,116446,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,20055,116468,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,20055,116469,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_LPD,20063,116617,LPD,,L-PROLINAMIDE,L-peptide linking,,LPD,,,,,,,,,,,,,,,,,,,,,LPD,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:43:05 2008",, chem_comp,chem_comp_BAL,20065,116650,BAL,,BETA-ALANINE,L-peptide linking,,BAL,no,1999-07-08,2008-10-15,REL,,,,BAL,,,,,,,,,,,ALA,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,1MCE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:21:33 2008",, chem_comp,chem_comp_UVR,20066,116667,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 15 14:20:13 2011",, chem_comp,chem_comp_BAL,20069,116716,BAL,,BETA-ALANINE,L-peptide linking,,BAL,no,1999-07-08,2008-10-15,REL,,,,BAL,,,,,,,,,,,ALA,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,1MCE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:21:33 2008",, chem_comp,chem_comp_UVR,20069,116717,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 15 14:20:13 2011",, chem_comp,chem_comp_UVR,20070,116734,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 15 14:20:13 2011",, chem_comp,chem_comp_PCA,2059,117901,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_B3L,20070,116735,B3L,,(3S)-3-amino-5-methylhexanoic acid,L-peptide linking,,B3L,no,2008-02-05,2009-01-07,REL,,,X,B3L,,,,,,,,,,,,,,,,,(S)-beta-3-homoleucine,0,,no,C7 H15 N O2,145.200,,,,,,,,,,,,,,,,,no,,no,3C3F,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 15 14:28:04 2011",, chem_comp,chem_comp_UVR,20071,116752,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 22 15:45:27 2011",, chem_comp,chem_comp_UVR,20072,116769,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 22 15:45:27 2011",, chem_comp,chem_comp_UVR,20073,116786,UVR,,UNVALIDATED POLYMER RESIDUE FOR SMS,L-peptide linking,,UVR,yes,2010-10-01,2010-10-01,HOLD,,,,UVR,,,,,,,,,,,,,,,,,,0,,no,X,,,,,,,,,,,,,,,,,,yes,,yes,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 22 15:45:27 2011",, chem_comp,chem_comp_GGP,20081,116919,GGP,PDB,"BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE",NON-POLYMER,GGP,GGP,no,2012-11-20,2012-11-20,REL,,,,GGP,99,67,,,,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35-,41-/m0/s1",,,,,,,,,,,,0,,yes,C41 H32 O26,940.677,,,,,,,,,,,,,,,,,no,,no,1JJQ,RCSB,,,,, chem_comp,chem_comp_RH3,20084,116963,RH3,,RHODIUM(III) ION,non-polymer,,RH3,no,2009-10-20,2010-03-05,REL,,,,RH3,,,,,,,,,,,,,,,,,,3,,no,Rh,102.906,,,,,,,,,,,,,,,,,no,,no,3A91,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 16:29:34 2011",, chem_comp,chem_comp_ACT,20084,116964,ACT,,ACETATE ION,non-polymer,,ACT,no,1999-07-08,2008-10-14,REL,,,,ACT,,,,,,,,,,,,,,,,,,-1,,no,C2 H3 O2,59.044,,,,,,,,,,,,,,,,,no,,no,1DY5,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 16:33:54 2011",, chem_comp,chem_comp_NH2,20084,116965,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 16:32:38 2011",, chem_comp,chem_comp_PFF,20087,117021,PFF,,4-FLUORO-L-PHENYLALANINE,L-peptide linking,,PFF,,,,,,,F,PFF,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:44:06 2009",, chem_comp,chem_comp_NH2,20087,117022,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 3 11:00:29 2011",, chem_comp,chem_comp_PFF,20088,117040,PFF,,4-FLUORO-L-PHENYLALANINE,L-peptide linking,,PFF,,,,,,,F,PFF,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:44:06 2009",, chem_comp,chem_comp_NH2,20088,117041,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 3 11:00:29 2011",, chem_comp,chem_comp_PFF,20089,117059,PFF,,4-FLUORO-L-PHENYLALANINE,L-peptide linking,,PFF,,,,,,,F,PFF,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:44:06 2009",, chem_comp,chem_comp_NH2,20089,117060,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 3 11:00:29 2011",, chem_comp,chem_comp_NLE,20092,117112,NLE,,NORLEUCINE,L-peptide linking,,NLE,,,,,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,no,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:26:17 2009",, chem_comp,chem_comp_NH2,20092,117113,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Mar 17 11:42:19 2011",, chem_comp,chem_comp_NH2,20101,117199,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25322,126712,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ABA,20107,117291,ABA,,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2009-01-07,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,no,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:47:39 2009",, chem_comp,chem_comp_TYU,20110,117344,TYU,PDB,TETRAHYDROURIDINE,RNA LINKING,TYU,TYU,no,2012-11-20,2012-11-20,REL,,,N,TYU,33,17,,,,"InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,"1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE",0,,no,C9 H16 N2 O6,248.233,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NFA,20113,117401,NFA,,PHENYLALANINE AMIDE,L-peptide linking,,NFA,,,,,,,F,NFA,,,,,,,,,,,PHE,,,,,,,0,no,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:24:00 2009",, chem_comp,chem_comp_LPD,2012,117523,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_T23,20121,117537,T23,,2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABINOFURANOSYL-THYMINE-5'-PHOSPHATE,RNA linking,,T23,,,,,,,T,T23,,,,,,,,,,,T,,,,,,,0,,no,C12 H19 N2 O8 P,350.262,,,,,,,,,,,,,,,,,no,,no,1DPL,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:20:55 2009",, chem_comp,chem_comp_LPD,2047,117808,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_ZN,26069,140027,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,2062,117941,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,2062,117942,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,21001,118156,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-04-05,2012-04-05,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AIB,21002,118175,AIB,,ALPHA-AMINOISOBUTYRIC ACID,L-peptide linking,,AIB,no,1999-07-08,2009-01-07,REL,,,A,AIB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Mar 28 01:54:09 2011",, chem_comp,chem_comp_CTT,21006,118191,1,PubChem,L-cystathionine,non-polymer,CTT,,,,,,,,,,,,,,,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",,,,,,,,,,,,,no,no,C7 H14 N2 O4 S,222.2620600000,222.067427638,229.090911503,224.061497425,231.0849812892,standards/L_cystathionine/lit/5347.png,png,,,standards/L_cystathionine/lit/5347.mol,mol,,,,,,,,,,,,,,,, chem_comp,chem_comp_CTT,21007,118211,1,PubChem,L-cystathionine,non-polymer,CTT,,,,,,,,,,,,,,,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",,,,,,,,,,,,,no,no,C7 H14 N2 O4 S,222.2620600000,222.067427638,229.090911503,224.061497425,231.0849812892,standards/L_cystathionine/lit/5347.png,png,,,standards/L_cystathionine/lit/5347.mol,mol,,,,,,,,,,,,,,,, chem_comp,chem_comp_ACE,21009,118247,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 10:18:58 2011",, chem_comp,chem_comp_NH2,21009,118248,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 12:26:36 2011",, chem_comp,chem_comp_ACE,21010,118267,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 10:18:58 2011",, chem_comp,chem_comp_NH2,21010,118268,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 12:26:36 2011",, chem_comp,chem_comp_NH2,21014,118314,NH2,,AMINO GROUP,non-polymer,,NH2,,,,,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 2 00:35:44 2011",, chem_comp,chem_comp_ACE,21018,118349,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_SAR,21018,118350,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-04-05,2012-04-05,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_TRM,21018,118351,TRM,PDB,1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID,NON-POLYMER,TRM,TRM,no,2012-04-05,2012-04-05,REL,,,,TRM,18,12,,,,"InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)",,,,,,,,,,,,0,,yes,C8 H6 N2 O2,162.145,,,,,,,,,,,,,,,,,no,,no,1FQ4,EBI,,,,, chem_comp,chem_comp_NH2,21018,118352,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CU1,21024,118411,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-04-05,2012-04-05,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZEM,21027,118456,ZEM,PDB,20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II),NON-POLYMER,ZEM,ZEM,yes,2012-04-05,2012-04-05,REL,,,,ZEM,76,44,,,,"InChI=1/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;/fC34H32N4O5.Zn/h39,41,43H;/q-2;m/rC34H32N4O5Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32-34(43)33-19(6)23(10-12-31(41)42)29-15-28-22(9-11-30(39)40)17(4)25-13-26(20)35(24)44(36(25)28,37(27)32)38(29)33/h7-8,13-15,43H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H",,,,,,,,,,,ZN(II)-(20-OXO-PROTOPORPHYRIN IX),0,,yes,C34 H32 N4 O5 Zn,642.051,,,,,,,,,,,,,,,,,no,not provided,yes,1ML2,EBI,,,,, chem_comp,chem_comp_OH,21027,118457,OH,PDB,HYDROXIDE ION,NON-POLYMER,OH,OH,no,2012-04-05,2012-04-05,REL,,,,OH,2,1,,,,InChI=1S/H2O/h1H2/p-1,,,,,,,,,,,,-1,,no,H O,17.007,,,,,,,,,,,,,,,,,no,,no,1MUW,RCSB,,,,, chem_comp,chem_comp_ZEM,21028,118474,ZEM,PDB,20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II),NON-POLYMER,ZEM,ZEM,yes,2012-04-05,2012-04-05,REL,,,,ZEM,76,44,,,,"InChI=1/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;/fC34H32N4O5.Zn/h39,41,43H;/q-2;m/rC34H32N4O5Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32-34(43)33-19(6)23(10-12-31(41)42)29-15-28-22(9-11-30(39)40)17(4)25-13-26(20)35(24)44(36(25)28,37(27)32)38(29)33/h7-8,13-15,43H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H",,,,,,,,,,,ZN(II)-(20-OXO-PROTOPORPHYRIN IX),0,,yes,C34 H32 N4 O5 Zn,642.051,,,,,,,,,,,,,,,,,no,not provided,yes,1ML2,EBI,,,,, chem_comp,chem_comp_HOH,21028,118475,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-04-05,2012-04-05,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_MAG,21031,118490,MAG,PDB,BETA-METHYL-N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,MAG,MAG,no,2012-11-20,2012-11-20,REL,,1NA,,MAG,33,16,,,,"InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H17 N O6,235.234,,,,,,,,,,,,,,,,,no,,no,1GSL,EBI,,,,, chem_comp,chem_comp_GAL,21031,118491,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_FUC,21031,118492,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_NAG,21032,118512,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_FUC,21032,118513,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_NAG,21033,118537,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_GAL,21033,118538,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_FUC,21033,118539,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_MAG,21034,118559,MAG,PDB,BETA-METHYL-N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,MAG,MAG,no,2012-11-20,2012-11-20,REL,,1NA,,MAG,33,16,,,,"InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H17 N O6,235.234,,,,,,,,,,,,,,,,,no,,no,1GSL,EBI,,,,, chem_comp,chem_comp_GAL,21034,118560,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_FUC,21034,118561,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_DPN,21037,118614,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_DLE,21038,118630,DLE,PDB,D-LEUCINE,D-PEPTIDE LINKING,DLE,DLE,no,2012-11-20,2012-11-20,REL,,,L,DLE,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1GMK,RCSB,,,,, chem_comp,chem_comp_ACE,21041,118676,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ACE,21042,118692,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MAG,21053,118753,MAG,PDB,BETA-METHYL-N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,MAG,MAG,no,2012-11-20,2012-11-20,REL,,1NA,,MAG,33,16,,,,"InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H17 N O6,235.234,,,,,,,,,,,,,,,,,no,,no,1GSL,EBI,,,,, chem_comp,chem_comp_A2G,21053,118754,A2G,PDB,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,SACCHARIDE,A2G,A2G,no,2012-11-20,2012-11-20,REL,,,,A2G,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,1D0H,RCSB,,,,, chem_comp,chem_comp_FUC,21053,118755,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_MAG,21054,118774,MAG,PDB,BETA-METHYL-N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,MAG,MAG,no,2012-11-20,2012-11-20,REL,,1NA,,MAG,33,16,,,,"InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H17 N O6,235.234,,,,,,,,,,,,,,,,,no,,no,1GSL,EBI,,,,, chem_comp,chem_comp_NAG,21054,118775,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2012-11-27,2012-11-27,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_FUC,21054,118776,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_MLS,21056,118795,MLS,PDB,N-METHYL-L-SERINE,L-PEPTIDE LINKING,MLS,MLS,no,,,,,,S,MLS,17,8,,,,,,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,,,,We can not find any standard abbreviation for N-methylated Ser. For N-methylated His its MHS so we named it MSR.,, chem_comp,chem_comp_NH2,21058,118829,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,21059,118844,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,25485,129532,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NFA,2118,119317,NFA,PDB,PHENYLALANINE AMIDE,L-PEPTIDE LINKING,NFA,NFA,no,1999-07-08,2011-12-14,REL,,,F,NFA,24,12,,,,"InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,,, chem_comp,chem_comp_AAC,216,119343,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,216,119344,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,217,119384,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,217,119385,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AME,2324,120406,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_HEC,218,119412,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,218,119413,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,219,119427,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,219,119428,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_ACE,2199,119507,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NLE,2199,119508,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,2199,119509,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AAC,220,119523,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,220,119524,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,2200,119538,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NLE,2200,119539,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,2200,119540,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,2202,119565,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_GM1,2202,119566,GM1,PDB,AMINOMETHYLAMIDE,NON-POLYMER,GM1,GM1,no,1999-07-08,2011-12-14,REL,,,,GM1,11,5,,,,"InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",,,,,,,,,,,GLYCINAMID,0,,no,C2 H6 N2 O,74.082,,,,,,,,,,,,,,,,,no,,no,1JAO,RCSB,,,,, chem_comp,chem_comp_ACE,2203,119580,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_GM1,2203,119581,GM1,PDB,AMINOMETHYLAMIDE,NON-POLYMER,GM1,GM1,no,1999-07-08,2011-12-14,REL,,,,GM1,11,5,,,,"InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",,,,,,,,,,,GLYCINAMID,0,,no,C2 H6 N2 O,74.082,,,,,,,,,,,,,,,,,no,,no,1JAO,RCSB,,,,, chem_comp,chem_comp_AAC,221,119673,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,221,119674,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_SAC,2218,119701,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,chem_comp_M3L,2436,120963,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,no,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,222,119728,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,222,119729,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_TYC,2223,119782,TYC,PDB,L-TYROSINAMIDE,NON-POLYMER,TYC,TYC,no,2004-12-06,2011-12-14,REL,,,,TYC,25,13,,,,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1",,,,,,,,,,,,0,,yes,C9 H12 N2 O2,180.204,,,,,,,,,,,,,,,,,no,,no,2BF9,EBI,,,,, chem_comp,chem_comp_HEC,223,119874,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,223,119875,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AAC,224,119967,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_AME,2325,120420,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_HEC,224,119968,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,225,120008,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,225,120009,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,226,120023,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,226,120024,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_NH2,2266,120088,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,2267,120100,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,2268,120114,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,2269,120128,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEC,227,120142,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,227,120143,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_NH2,2270,120157,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,2271,120171,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SET,2272,120185,SET,PDB,AMINOSERINE,L-PEPTIDE LINKING,SET,SET,no,1999-07-08,2011-12-14,REL,,,S,SET,15,7,,,,"InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1",,,,,SER,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,no,,no,1A7C,RCSB,,,,, chem_comp,chem_comp_PCA,2276,120223,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPN,2276,120224,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,1999-07-08,2011-12-14,REL,,,,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NLW,2276,120225,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,dzAbu,2277,120240,dzAbu,,beta-methyl(Z)dehydroalanine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DAB,2277,120241,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,1999-07-08,2011-12-14,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,dzAbu,2279,120267,dzAbu,,beta-methyl(Z)dehydroalanine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,unknown chem comp,, chem_comp,chem_comp_HEC,228,120286,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NLE,2282,120311,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_HEC,229,120378,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,229,120379,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AME,2326,120434,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_ACE,2328,120461,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,2328,120462,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,2329,120476,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,2329,120477,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEC,233,120489,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,233,120490,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,234,120531,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,235,120598,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,235,120599,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AAC,2366,120653,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,no,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,2366,120654,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACC,2367,120669,ACC,PDB,N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE,NON-POLYMER,ACC,ACC,no,1999-07-08,2011-12-14,REL,,,,ACC,48,24,,,,"InChI=1S/C13H23N3O6S2/c1-24-6-9(13(21)22)16-11(18)8(5-23)15-10(17)4-2-3-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p+1/t7-,8-,9+/m0/s1",,,,,,,,,,,,1,no,no,C13 H24 N3 O6 S2,382.476,,,,,,,,,,,,,,,,,no,,no,1QIQ,EBI,,,,, chem_comp,chem_comp_HEC,2367,120670,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,no,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACC,2368,120685,ACC,PDB,N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE,NON-POLYMER,ACC,ACC,no,1999-07-08,2011-12-14,REL,,,,ACC,48,24,,,,"InChI=1S/C13H23N3O6S2/c1-24-6-9(13(21)22)16-11(18)8(5-23)15-10(17)4-2-3-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p+1/t7-,8-,9+/m0/s1",,,,,,,,,,,,1,no,no,C13 H24 N3 O6 S2,382.476,,,,,,,,,,,,,,,,,no,,no,1QIQ,EBI,,,,, chem_comp,chem_comp_HEC,2368,120686,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,no,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NLE,24,120789,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_AAR,24,120790,AAR,PDB,ARGININEAMIDE,L-PEPTIDE LINKING,AAR,AAR,no,1999-07-08,2011-12-14,REL,,,R,AAR,28,12,,,,"InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1",,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,,, chem_comp,chem_comp_M3L,2435,120951,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_M3L,2437,120975,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_NH2,245,121078,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,S_Ppt,2454,121092,S_Ppt,,4'-phosphopantetheinyl-L-serine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HEC,2488,121246,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,C_heme_c,2489,121258,C_heme_c,,L-cysteine-Sg-heme c,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_LPD,249,121271,LPD,PDB,L-PROLINAMIDE,L-PEPTIDE LINKING,LPD,LPD,no,2006-08-24,2011-12-14,REL,,,P,LPD,18,8,,,,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,,, chem_comp,chem_comp_CY3,250,121311,CY3,PDB,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-PEPTIDE LINKING,CY3,CY3,no,1999-10-22,2011-12-14,REL,,,C,CY3,15,7,,,,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,,, chem_comp,chem_comp_TA1,25005,121417,TA1,PDB,TAXOL,NON-POLYMER,TA1,TA1,no,2012-11-20,2012-11-20,REL,,,,TA1,113,62,,,,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",,,,,,,,,,,,0,,yes,C47 H51 N O14,853.906,,,,,,,,,,,,,,,,,no,,no,1JFF,RCSB,,,,, chem_comp,chem_comp_GTP,25005,121418,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_ZN,25008,121456,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FOL,25019,121622,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_ACE,25022,121667,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AMD,25022,121668,AMD,PDB,ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE,NON-POLYMER,AMD,AMD,no,2012-11-20,2012-11-20,REL,,,,AMD,49,30,,,,"InChI=1S/C14H19N6O9P/c15-6(1-10(22)23)14(24)29-30(25,26)27-3-8-7(21)2-9(28-8)20-5-19-11-12(16)17-4-18-13(11)20/h4-9,21H,1-3,15H2,(H,22,23)(H,25,26)(H2,16,17,18)/t6-,7-,8+,9+/m0/s1",,,,,A,,,,,,,0,,yes,C14 H19 N6 O9 P,446.309,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,25034,121878,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25035,121905,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,25048,122149,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,25063,122323,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PNS,25065,122369,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,25070,122474,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25071,122496,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FE,25080,122604,FE,PDB,FE (III) ION,NON-POLYMER,FE,FE,no,2012-11-20,2012-11-20,REL,,,,FE,1,1,,,,InChI=1S/Fe/q+3,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25080,122605,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PTR,25082,122644,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MYR,25087,122730,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_ZN,25100,122874,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25101,122898,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25102,122922,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_QUE,25107,122970,QUE,PDB,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",NON-POLYMER,QUE,QUE,no,2012-11-20,2012-11-20,REL,,,,QUE,32,22,,,,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",,,,,,,,,,,QUERCETIN,0,,yes,C15 H10 O7,302.236,,,,,,,,,,,,,,,,,no,,no,2HCK,EBI,,,,, chem_comp,chem_comp_NH2,25112,123045,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_BEF,25124,123244,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_CA,25208,124724,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,25129,123316,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_CA,25136,123431,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BEF,25137,123449,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_MG,25137,123450,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_MG,25141,123528,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,25143,123561,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FMN,25153,123726,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_1YE,25154,123745,1YE,PDB,"(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid",NON-POLYMER,1YE,1YE,no,2013-08-16,2013-08-16,REL,,,,1YE,35,21,,,,"InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)",,,,,,,,,,,,0,,yes,C17 H14 O4,282.291,,,,,,,,,,,,,,,,,no,Corina,no,4LOL,RCSB,,,,, chem_comp,chem_comp_DHA,25161,123872,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_DBU,25161,123873,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAL,25161,123874,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ABA,25161,123875,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_DBU,25162,123890,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DBB,25162,123891,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,,2012-11-20,2012-11-20,REL,,,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DHA,25162,123892,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_DAL,25162,123893,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,25164,123931,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HOH,25164,123932,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ABA,25174,124128,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ABA,25186,124347,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ABA,25187,124363,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2012-11-20,2012-11-20,REL,,AA3,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_6MZ,25188,124381,6MZ,PDB,N6-METHYLADENOSINE-5'-MONOPHOSPHATE,RNA LINKING,6MZ,6MZ,no,2012-11-20,2012-11-20,REL,,,N,6MZ,40,24,,,,"InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",,,,,A,,,,,,,0,,yes,C11 H16 N5 O7 P,361.248,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_NH2,25190,124420,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NAG,25192,124451,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2014-04-02,2014-04-02,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_AMU,25192,124452,AMU,PDB,BETA-N-ACETYLMURAMIC ACID,D-SACCHARIDE,AMU,AMU,no,2012-11-20,2012-11-20,REL,,,,AMU,39,20,,,,"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1",,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,,no,1D0K,RCSB,,,,, chem_comp,chem_comp_FGA,25192,124453,FGA,PDB,GAMMA-D-GLUTAMIC ACID,"D-GAMMA-PEPTIDE, C-DELTA LINKING",FGA,FGA,no,2012-11-20,2012-11-20,REL,,,E,FGA,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,D-GLUTAMIC ACID,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_API,25192,124454,API,PDB,"2,6-DIAMINOPIMELIC ACID",L-PEPTIDE LINKING,API,API,no,2012-11-20,2012-11-20,REL,,,K,API,27,13,,,,"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+",,,,,LYS,,,,,,,0,,no,C7 H14 N2 O4,190.197,,,,,,,,,,,,,,,,,no,Corina,no,2DAP,EBI,,,,, chem_comp,chem_comp_DAL,25192,124455,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25199,124577,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_6MD,25220,124904,6MD,PDB,N-methyladenosine,NON-POLYMER,6MD,6MD,no,2013-11-01,2013-11-01,REL,,,,6MD,35,20,,,,"InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1",,,,,,,,,,,,0,,yes,C11 H15 N5 O4,281.268,,,,,,,,,,,,,,,,,no,Corina,no,4LMP,RCSB,,,,, chem_comp,chem_comp_ZN,25221,124924,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25229,125077,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25230,125102,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_3LW,25233,125168,3LW,PDB,"(3R,5R,7R)-N-{[(2S,5S)-5-bromotetrahydrothiophen-2-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-amine",NON-POLYMER,3LW,3LW,no,2014-09-20,2014-09-20,HOLD,,,,3LW,42,18,,,,"InChI=1S/C15H24BrNS/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-14,17H,1-9H2/t10-,11+,12-,13-,14+,15-/m0/s1",,,,,,,,,,,,0,,no,C15 H24 Br N S,330.327,,,,,,,,,,,,,,,,,no,Corina,no,2MUV,RCSB,,,,, chem_comp,chem_comp_3LW,25234,125185,3LW,PDB,"(3R,5R,7R)-N-{[(2S,5S)-5-bromotetrahydrothiophen-2-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-amine",NON-POLYMER,3LW,3LW,no,2014-09-20,2014-09-20,HOLD,,,,3LW,42,18,,,,"InChI=1S/C15H24BrNS/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-14,17H,1-9H2/t10-,11+,12-,13-,14+,15-/m0/s1",,,,,,,,,,,,0,,no,C15 H24 Br N S,330.327,,,,,,,,,,,,,,,,,no,Corina,no,2MUV,RCSB,,,,, chem_comp,chem_comp_PFF,25236,125222,PFF,PDB,4-FLUORO-L-PHENYLALANINE,L-PEPTIDE LINKING,PFF,PFF,no,2012-11-20,2012-11-20,REL,,,F,PFF,23,13,,,,"InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25236,125223,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,25238,125266,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25248,125410,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25249,125430,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NAG,25269,125695,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2014-04-02,2014-04-02,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_SEP,25273,125776,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_SDO,25284,125968,SDO,PDB,"N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide",NON-POLYMER,SDO,SDO,no,2014-10-17,2014-10-17,HOLD,,,,SDO,66,31,,,,"InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1",,,,,,,,,,,,0,,no,C19 H35 N2 O8 P S,482.529,,,,,,,,,,,,,,,,,no,Corina,no,2MVU,RCSB,,,,, chem_comp,chem_comp_CMO,25285,125990,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,2012-11-20,2012-11-20,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_HEM,25285,125991,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_HEM,25286,126008,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_SXR,25287,126025,SXR,PDB,"N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide",NON-POLYMER,SXR,SXR,no,2014-10-17,2014-10-17,HOLD,,,,SXR,68,33,,,,"InChI=1S/C22H35N2O7PS/c1-22(2,16-31-32(29)30)20(27)21(28)24-12-10-19(26)23-13-15-33-14-11-18(25)9-8-17-6-4-3-5-7-17/h3-7,20,27,29-30H,8-16H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1",,,,,,,,,,,,0,,yes,C22 H35 N2 O7 P S,502.561,,,,,,,,,,,,,,,,,no,Corina,no,2MVV,RCSB,,,,, chem_comp,chem_comp_ZN,25288,126046,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ALA,25295,126192,ALA,PDB,ALANINE,L-PEPTIDE LINKING,ALA,ALA,no,2012-11-20,2012-11-20,REL,,,A,ALA,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,25295,126193,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_3UQ,25300,126306,3UQ,PDB,"[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)",NON-POLYMER,3UQ,3UQ,yes,2015-06-26,2015-06-26,REL,,,,3UQ,29,16,,,,InChI=1S/C10H8.C5H5.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+1,,,,,,,,,,,,1,,yes,C15 H13 Ru,294.334,,,,,,,,,,,,,,,,,yes,,yes,2MW6,RCSB,,,,, chem_comp,chem_comp_ZN,25312,126509,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,25316,126597,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ALA,25316,126598,ALA,PDB,ALANINE,L-PEPTIDE LINKING,ALA,ALA,no,2012-11-20,2012-11-20,REL,,,A,ALA,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,25317,126616,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25317,126617,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,25318,126635,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ARG,25323,126730,ARG,PDB,ARGININE,L-PEPTIDE LINKING,ARG,ARG,no,2012-11-20,2012-11-20,REL,,,R,ARG,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_MAN,25331,126872,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_MAN,25332,126892,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_FMN,25342,127074,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2012-11-20,2012-11-20,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,,, chem_comp,chem_comp_CA,25344,127117,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25345,127134,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MLY,25347,127165,MLY,PDB,N-DIMETHYL-LYSINE,L-PEPTIDE LINKING,MLY,MLY,no,2012-11-20,2012-11-20,REL,,TRG,K,MLY,30,12,,,,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,,, chem_comp,chem_comp_MLY,25348,127193,MLY,PDB,N-DIMETHYL-LYSINE,L-PEPTIDE LINKING,MLY,MLY,no,2012-11-20,2012-11-20,REL,,TRG,K,MLY,30,12,,,,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,,, chem_comp,chem_comp_ZN,25351,127258,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AP5,25360,127392,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_AP5,25361,127408,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_AP5,25362,127424,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_8OG,25369,127538,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_CPT-157633,25375,127616,1,BMRB,CPT-157633,NON-POLYMER,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,C12H14BrF2N2O6PS,465.209,,,,,,,,,,,,,,,,,,,,,,,,"HETATM 1 OAC DRG 1 -12.340 -9.440 -6.530 1.00 20.00 O HETATM 2 PAX DRG 1 -11.600 -8.590 -5.380 1.00 20.00 P HETATM 3 OAD DRG 1 -12.660 -7.450 -4.970 1.00 20.00 O HETATM 4 OAI DRG 1 -10.340 -8.000 -5.890 1.00 20.00 O HETATM 5 CAW DRG 1 -11.340 -9.730 -3.880 1.00 20.00 C HETATM 6 FAE DRG 1 -12.530 -9.920 -3.280 1.00 20.00 F HETATM 7 FAF DRG 1 -10.960 -10.900 -4.420 1.00 20.00 F HETATM 8 CAV DRG 1 -10.410 -9.300 -2.880 1.00 20.00 C HETATM 9 CAT DRG 1 -9.620 -10.210 -2.110 1.00 20.00 C HETATM 10 BRAG DRG 1 -10.230 -11.910 -1.550 1.00 20.00 BR HETATM 11 CD2 DRG 1 -8.530 -9.750 -1.340 1.00 20.00 C HETATM 12 HD2 DRG 1 -7.860 -10.450 -0.850 1.00 20.00 H HETATM 13 CAP DRG 1 -10.150 -7.910 -2.750 1.00 20.00 C HETATM 14 HAP DRG 1 -10.830 -7.170 -3.170 1.00 20.00 H HETATM 15 CD1 DRG 1 -9.090 -7.450 -1.950 1.00 20.00 C HETATM 16 HD1 DRG 1 -8.890 -6.380 -1.890 1.00 20.00 H HETATM 17 CG DRG 1 -8.270 -8.370 -1.270 1.00 20.00 C HETATM 18 CB DRG 1 -7.250 -7.890 -0.440 1.00 20.00 C HETATM 19 HB1 DRG 1 -7.426 -6.826 -0.283 1.00 20.00 H HETATM 20 HB2 DRG 1 -7.262 -8.463 0.487 1.00 20.00 H HETATM 21 CA DRG 1 -5.850 -8.000 -1.060 1.00 20.00 C HETATM 22 HA DRG 1 -5.681 -9.039 -1.344 1.00 20.00 H HETATM 23 C DRG 1 -5.750 -7.130 -2.330 1.00 20.00 C HETATM 24 O DRG 1 -5.690 -5.900 -2.230 1.00 20.00 O HETATM 25 NAM DRG 1 -5.850 -7.830 -3.480 1.00 20.00 N HETATM 26 HAM DRG 1 -5.990 -8.820 -3.470 1.00 20.00 H HETATM 27 CAA DRG 1 -5.770 -7.140 -4.780 1.00 20.00 C HETATM 28 HAB DRG 1 -5.617 -6.073 -4.617 1.00 20.00 H HETATM 29 HAC DRG 1 -6.698 -7.294 -5.330 1.00 20.00 H HETATM 30 HAA DRG 1 -4.922 -7.588 -5.299 1.00 20.00 H HETATM 31 N DRG 1 -4.820 -7.590 -0.090 1.00 20.00 N HETATM 32 H DRG 1 -5.180 -7.780 0.830 1.00 20.00 H HETATM 33 SAY DRG 1 -3.440 -8.440 -0.260 1.00 20.00 S HETATM 34 OAJ DRG 1 -2.290 -7.710 0.440 1.00 20.00 O HETATM 35 OAK DRG 1 -3.110 -8.620 -1.740 1.00 20.00 O HETATM 36 CAB DRG 1 -3.640 -10.060 0.470 1.00 20.00 C HETATM 37 HAE DRG 1 -3.877 -9.955 1.529 1.00 20.00 H HETATM 38 HAF DRG 1 -2.715 -10.625 0.359 1.00 20.00 H HETATM 39 HAD DRG 1 -4.462 -10.494 -0.098 1.00 20.00 H CONECT 1 2 CONECT 2 1 3 4 5 CONECT 3 2 CONECT 4 2 CONECT 5 2 6 7 8 CONECT 6 5 CONECT 7 5 CONECT 8 5 9 13 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 17 CONECT 12 11 CONECT 13 8 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 11 15 18 CONECT 18 17 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 22 23 31 CONECT 22 21 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 25 28 29 30 CONECT 28 27 CONECT 29 27 CONECT 30 27 CONECT 31 21 32 33 CONECT 32 31 CONECT 33 31 34 35 36 CONECT 34 33 CONECT 35 33 CONECT 36 33 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36",, chem_comp,chem_comp_ZN,25376,127633,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_8OG,25378,127669,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_SEP,25471,129290,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_3ZO,25378,127670,3ZO,PDB,"2'-deoxy-5'-2,3-dihydroxanthylic acid",DNA LINKING,3ZO,3ZO,no,2014-12-25,2014-12-25,HOLD,,,,3ZO,36,23,,,,"InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1",,,,,,,,,,,,0,,yes,C10 H13 N4 O8 P,348.206,,,,,,,,,,,,,,,,,no,Corina,no,2MWZ,RCSB,,,,, chem_comp,chem_comp_ZN,25386,127806,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,25389,127846,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_HEM,25390,127880,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_PHQ,25394,127930,PHQ,PDB,benzyl chlorocarbonate,NON-POLYMER,PHQ,PHQ,no,2012-11-20,2012-11-20,REL,,"BZO,CBZ",,PHQ,18,11,,,,"InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2",,,,,,,,,,,,0,,yes,C8 H7 Cl O2,170.593,,,,,,,,,,,,,,,,,no,Corina,no,1QDU,RCSB,,,,, chem_comp,chem_comp_MYR,25411,128215,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_HEC,25418,128325,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,25420,128376,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_FE2,25420,128377,FE2,PDB,FE (II) ION,NON-POLYMER,FE2,FE2,no,2012-11-20,2012-11-20,REL,,,,FE2,1,1,,,,InChI=1S/Fe/q+2,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,25422,128416,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_FE,25422,128417,FE,PDB,FE (III) ION,NON-POLYMER,FE,FE,no,2012-11-20,2012-11-20,REL,,,,FE,1,1,,,,InChI=1S/Fe/q+3,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25423,128437,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PAR,25427,128514,PAR,PDB,PAROMOMYCIN,NON-POLYMER,PAR,PAR,no,2012-11-20,2012-11-20,REL,,,,PAR,87,42,,,,"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",,,,,,,,,,,"PAROMOMYCIN I, AMMINOSIDIN, CATENULIN, CRESTOMYCIN, MONOMYCIN A, NEOMYCIN E",0,,no,C23 H45 N5 O14,615.628,,,,,,,,,,,,,,,,,no,,no,1FJG,RCSB,,,,, chem_comp,chem_comp_ZN,25433,128607,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25437,128686,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25439,128702,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CD,25440,128724,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_PNS,25446,128822,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HEM,25455,128972,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,yes,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_MK8,25456,128989,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2012-11-20,2012-11-20,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_MK8,25457,129004,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2012-11-20,2012-11-20,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_ACE,25458,129019,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25458,129020,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CGU,25465,129172,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25465,129173,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SEP,25470,129275,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_HEC,25477,129398,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_SEP,25478,129416,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_AG,25483,129487,AG,PDB,SILVER ION,NON-POLYMER,AG,AG,no,2012-11-20,2012-11-20,REL,,,,AG,1,1,,,,InChI=1S/Ag/q+1,,,,,,,,,,,,1,,no,Ag,107.868,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25488,129592,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PX4,25488,129593,PX4,PDB,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PX4,PX4,no,2012-11-20,2012-11-20,REL,,,,PX4,119,46,,,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,,, chem_comp,chem_comp_CA,25489,129616,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25489,129617,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PX4,25489,129618,PX4,PDB,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PX4,PX4,no,2012-11-20,2012-11-20,REL,,,,PX4,119,46,,,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,,, chem_comp,chem_comp_C3S,25489,129619,C3S,PDB,CHOLEST-5-EN-3-YL HYDROGEN SULFATE,NON-POLYMER,C3S,C3S,no,2012-11-20,2012-11-20,REL,,,,C3S,78,32,,,,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",,,,,,,,,,,CHOLESTEROL-SULFATE,0,,no,C27 H46 O4 S,466.717,,,,,,,,,,,,,,,,,no,,no,1S0X,RCSB,,,,, chem_comp,chem_comp_GLA,25490,129638,GLA,PDB,ALPHA D-GALACTOSE,D-SACCHARIDE,GLA,GLA,no,2012-11-20,2012-11-20,REL,,,,GLA,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,8ABP,EBI,,,,, chem_comp,chem_comp_HYP,25490,129639,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,25490,129640,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CGU,25491,129658,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HYP,25491,129659,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,25491,129660,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,25495,129737,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ORI,25502,129886,ORI,PDB,4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,NON-POLYMER,ORI,ORI,no,2014-02-08,2014-02-08,REL,,,,ORI,35,23,,,,"InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+",,,,,,,,,,,Orange I,0,,yes,C16 H12 N2 O4 S,328.342,,,,,,,,,,,,,,,,,no,Corina,no,3W79,PDBJ,,,,, chem_comp,chem_comp_ZN,25504,129903,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_Re1O1,25506,129952,Re1O1,BMRB,PERRHENATE,NON-POLYMER,Re1O1,,no,2015-02-26,2015-02-26,REL,,,,Re1O1,2,2,,,,,,,,,,,,,,,,0,,no,O1 Re1,,,,,,,,,,,,,,,,,,no,,no,,BMRB,,,,, chem_comp,chem_comp_SDPhe,25506,129953,SDPhe,BMRB,CHEMBL87685,non-polymer,SDPhe,,,2015-02-27,,,,,,,22,12,,,,"InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)/t8-/m1/s1",,,,,,,,,,,,0,no,yes,C9H10O2S,182.2395,182.04015056,191.070344102,182.04015056,191.070344102,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DTR,25506,129954,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_SDPhe,25507,129971,SDPhe,BMRB,CHEMBL87685,non-polymer,SDPhe,,,2015-02-27,,,,,,,22,12,,,,"InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)/t8-/m1/s1",,,,,,,,,,,,0,no,yes,C9H10O2S,182.2395,182.04015056,191.070344102,182.04015056,191.070344102,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DTR,25507,129972,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_ZN,25509,130008,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25511,130070,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,25512,130094,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25512,130095,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PKA,25513,130116,PKA,PDB,N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide,NON-POLYMER,PKA,PKA,no,2014-03-29,2014-03-29,REL,,,,PKA,46,25,,,,"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1",,,,,,,,,,,,0,,yes,C21 H21 Cl N2 O,352.857,,,,,,,,,,,,,,,,,no,Corina,no,2MGY,RCSB,,,,, chem_comp,chem_comp_SEP,25514,130138,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_NH2,25517,130190,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25519,130228,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25520,130248,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25521,130265,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25522,130282,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25523,130299,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25524,130319,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,25525,130336,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_RIO,25526,130360,RIO,PDB,RIBOSTAMYCIN,NON-POLYMER,RIO,RIO,no,2012-11-20,2012-11-20,REL,,,,RIO,65,31,,,,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",,,,,,,,,,,"5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY]-TETRAHYDRO-PYRAN-3,4-DIOL; (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",0,,no,C17 H34 N4 O10,454.473,,,,,,,,,,,,,,,,,no,Corina,no,1M4G,RCSB,,,,, chem_comp,chem_comp_8OG,25528,130420,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_IQG,25531,130478,IQG,PDB,"N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)",NON-POLYMER,IQG,IQG,no,2014-05-10,2014-05-10,REL,,,,IQG,60,38,,,,"InChI=1S/C21H22N9O7P/c1-29-11-5-10(15-9(3-2-4-23-15)16(11)26-20(29)22)25-21-27-18-17(19(32)28-21)24-8-30(18)14-6-12(31)13(37-14)7-36-38(33,34)35/h2-5,8,12-14,31H,6-7H2,1H3,(H2,22,26)(H2,33,34,35)(H2,25,27,28,32)/t12-,13+,14+/m0/s1",,,,,,,,,,,,0,,yes,C21 H22 N9 O7 P,543.429,,,,,,,,,,,,,,,,,yes,Corina,no,2MAV,RCSB,,,,, chem_comp,chem_comp_CA,25533,130512,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CM7,25536,130561,CM7,PDB,"N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide",NON-POLYMER,CM7,CM7,,2012-11-20,2012-11-20,REL,,,,CM7,79,44,,,,"InChI=1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1",,,,,,,,,,,,0,,yes,C32 H35 F3 N4 O4 S,628.705,,,,,,,,,,,,,,,,,no,Corina,no,2VNN,EBI,,,,, chem_comp,chem_comp_NH2,25537,130579,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_48L,25538,130597,48L,PDB,"4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one",NON-POLYMER,48L,48L,no,2015-03-29,2015-03-29,HOLD,,,,48L,70,41,,,,"InChI=1S/C30H29BrClFN4O4/c1-17(2)41-25-15-21(40-3)9-10-22(25)29-35-27(23-14-19(31)6-11-24(23)33)28(18-4-7-20(32)8-5-18)37(29)30(39)36-13-12-34-26(38)16-36/h4-11,14-15,17,27-28H,12-13,16H2,1-3H3,(H,34,38)/t27-,28+/m0/s1",,,,,,,,,,,,0,,yes,C30 H29 Br Cl F N4 O4,643.931,,,,,,,,,,,,,,,,,no,Corina,no,2N0W,RCSB,,,,, chem_comp,chem_comp_CM5,25546,130743,CM5,PDB,5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE,NON-POLYMER,CM5,CM5,no,2012-11-20,2012-11-20,REL,,,,CM5,76,34,,,,"InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1",,,,,,,,,,,5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE; CYMAL-5,0,,no,C23 H42 O11,494.573,,,,,,,,,,,,,,,,,no,,no,2BDM,RCSB,,,,, chem_comp,chem_comp_HEM,25551,130795,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_HEC,25551,130796,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,25553,130836,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,25558,130921,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_SEP,25569,131117,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_ZN,25934,137719,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MYR,25573,131205,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_ZN,25575,131254,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,25585,131353,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25588,131422,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_4DY,25588,131423,4DY,PDB,(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide,NON-POLYMER,4DY,4DY,no,2015-05-01,2015-05-01,HOLD,,,,4DY,49,22,,,,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",,,,,,,,,,,,0,,yes,C18 H27 N O3,305.412,,,,,,,,,,,,,,,,,no,Corina,no,2N27,RCSB,,,,, chem_comp,chem_comp_MG,27409,154489,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ANI,25591,131461,ANI,PDB,4-(trifluoromethyl)aniline,NON-POLYMER,ANI,ANI,no,2012-11-20,2012-11-20,REL,,,,ANI,17,11,,,,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,Corina,no,1ELE,RCSB,,,,, chem_comp,chem_comp_ANI,25592,131477,ANI,PDB,4-(trifluoromethyl)aniline,NON-POLYMER,ANI,ANI,no,2012-11-20,2012-11-20,REL,,,,ANI,17,11,,,,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",,,,,,,,,,,,0,,yes,C7 H6 F3 N,161.124,,,,,,,,,,,,,,,,,no,Corina,no,1ELE,RCSB,,,,, chem_comp,chem_comp_BGM,25596,131527,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_MTN,25601,131629,MTN,PDB,"S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",NON-POLYMER,MTN,MTN,no,2012-11-20,2012-11-20,REL,,,,MTN,34,16,,,,"InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3",,,,,,,,,,,MTSL,0,,no,C10 H18 N O3 S2,264.385,,,,,,,,,,,,,,,,,yes,Corina,no,1RF8,RCSB,,,,, chem_comp,chem_comp_NVA,25613,131858,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,NVA,NVA,no,2012-11-20,2012-11-20,REL,,2PI,V,NVA,19,8,,,,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,,, chem_comp,chem_comp_HIX,25613,131859,HIX,PDB,"3-(1H-1,2,3-triazol-5-yl)-L-alanine",L-PEPTIDE LINKING,HIX,HIX,no,2015-05-28,2015-05-28,HOLD,,,,HIX,19,11,,,,"InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,yes,C5 H8 N4 O2,156.143,,,,,,,,,,,,,,,,,yes,Corina,no,2N2V,RCSB,,,,, chem_comp,chem_comp_NVA,25614,131875,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,NVA,NVA,no,2012-11-20,2012-11-20,REL,,2PI,V,NVA,19,8,,,,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,,, chem_comp,chem_comp_HIX,25614,131876,HIX,PDB,"3-(1H-1,2,3-triazol-5-yl)-L-alanine",L-PEPTIDE LINKING,HIX,HIX,no,2016-01-30,2016-01-30,REL,,,,HIX,19,11,,,,"InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,yes,C5 H8 N4 O2,156.143,,,,,,,,,,,,,,,,,yes,Corina,no,2N2V,RCSB,,,,, chem_comp,chem_comp_NVA,25615,131892,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,NVA,NVA,no,2012-11-20,2012-11-20,REL,,2PI,V,NVA,19,8,,,,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,,, chem_comp,chem_comp_HIX,25615,131893,HIX,PDB,"3-(1H-1,2,3-triazol-5-yl)-L-alanine",L-PEPTIDE LINKING,HIX,HIX,no,2016-01-30,2016-01-30,REL,,,,HIX,19,11,,,,"InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,yes,C5 H8 N4 O2,156.143,,,,,,,,,,,,,,,,,yes,Corina,no,2N2V,RCSB,,,,, chem_comp,chem_comp_ACE,25631,132150,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,25631,132151,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HSD,25640,132259,HSD,PDB,"(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",NON-POLYMER,HSD,HSD,no,2012-12-22,2012-12-22,REL,,,,HSD,25,12,,,,"InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1",,,,,,,,,,,,0,,no,C7 H13 N O4,175.182,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_HEC,25640,132260,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HOH,25640,132261,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_PCA,25653,132500,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,25655,132542,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HOH,25655,132543,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_HEM,25660,132660,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CMF,25660,132661,CMF,PDB,3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID,NON-POLYMER,CMF,CMF,no,2012-11-20,2012-11-20,REL,,,,CMF,63,33,,,,"InChI=1S/C27H30N2O4/c30-24(28-13-15-33-16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32)",,,,,,,,,,,,0,,yes,C27 H30 N2 O4,446.538,,,,,,,,,,,,,,,,,no,,no,2BRK,EBI,,,,, chem_comp,chem_comp_AP7,25661,132691,AP7,PDB,N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE,RNA LINKING,AP7,AP7,no,2012-11-20,2012-11-20,REL,,,A,AP7,38,23,,,,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,1,,yes,C10 H15 N5 O7 P,348.229,,,,,,,,,,,,,,,,,yes,Corina,no,1U6P,RCSB,,,,, chem_comp,chem_comp_CA,26503,140474,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GTP,25661,132692,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_MG,25661,132693,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_8XG,25669,132896,8XG,PDB,"2-amino-9-(beta-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one",NON-POLYMER,8XG,8XG,no,2015-07-16,2015-07-16,HOLD,,,,8XG,33,20,,,,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N5 O5,283.241,,,,,,,,,,,,,,,,,no,Corina,no,2N4J,RCSB,,,,, chem_comp,chem_comp_DVA,25741,134197,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_8XU,25669,132897,8XU,PDB,"1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione",NON-POLYMER,8XU,8XU,no,2015-07-16,2015-07-16,HOLD,,,,8XU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,Corina,no,2N4J,RCSB,,,,, chem_comp,chem_comp_8XA,25669,132898,8XA,PDB,9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine,NON-POLYMER,8XA,8XA,no,2015-07-16,2015-07-16,HOLD,,,,8XA,37,23,,,,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6+,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,Corina,no,2N4J,RCSB,,,,, chem_comp,chem_comp_8XC,25669,132899,8XC,PDB,4-amino-1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidin-2(1H)-one,NON-POLYMER,8XC,8XC,no,2015-07-16,2015-07-16,HOLD,,,,8XC,35,21,,,,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C9 H14 N3 O8 P,323.197,,,,,,,,,,,,,,,,,no,Corina,no,2N4J,RCSB,,,,, chem_comp,chem_comp_4E9,25672,132955,4E9,PDB,2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate),DNA LINKING,4E9,4E9,no,2015-07-17,2015-07-17,HOLD,,,,4E9,65,42,,,,"InChI=1S/C27H23N6O8P/c28-26-31-24-22(25(36)32-26)30-27(33(24)20-10-18(34)19(41-20)11-40-42(37,38)39)29-17-9-8-13-12-4-1-2-5-14(12)23(35)16-7-3-6-15(17)21(13)16/h1-9,18-20,34H,10-11H2,(H,29,30)(H2,37,38,39)(H3,28,31,32,36)/t18-,19+,20+/m0/s1",,,,,,,,,,,,0,,yes,C27 H23 N6 O8 P,590.481,,,,,,,,,,,,,,,,,yes,Corina,no,2N4M,RCSB,,,,, chem_comp,chem_comp_ACE,25673,132976,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_4G6,25673,132977,4G6,PDB,"2-methylpropane-1,2-diamine",NON-POLYMER,4G6,4G6,no,2015-08-05,2015-08-05,HOLD,,,,4G6,18,6,,,,"InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3",,,,,,,,,,,,0,,no,C4 H12 N2,88.151,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_DPR,25673,132978,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_4FU,25673,132979,4FU,PDB,"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",NON-POLYMER,4FU,4FU,no,2015-08-05,2015-08-05,HOLD,,,,4FU,24,12,,,,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+",,,,,,,,,,,,0,,no,C8 H12 O4,172.178,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_NH2,25673,132980,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,25707,133560,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25709,133596,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PNS,25716,133728,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_4EM,25717,133747,4EM,PDB,"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate",NON-POLYMER,4EM,4EM,no,2015-09-12,2015-09-12,REL,,,,4EM,56,29,,,,"InChI=1S/C16H27N4O8P/c1-16(2,10-28-29(25,26)27)13(22)15(24)19-7-5-12(21)18-8-9-20-14(23)11-4-3-6-17-11/h3-4,6,13,17,22H,5,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t13-/m0/s1",,,,,,,,,,,,0,,yes,C16 H27 N4 O8 P,434.381,,,,,,,,,,,,,,,,,yes,Corina,no,2N5I,RCSB,,,,, chem_comp,chem_comp_ZN,25719,133787,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_4EN,25723,133856,4EN,PDB,"[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",DNA LINKING,4EN,4EN,no,2015-07-28,2015-07-28,HOLD,,,,4EN,36,22,,,,"InChI=1S/C10H14N5O6P/c11-9-5-2-15(14-10(5)13-4-12-9)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,17,18,19)(H2,11,12,13,14)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,yes,C10 H14 N5 O6 P,331.222,,,,,,,,,,,,,,,,,yes,Corina,no,2N5O,RCSB,,,,, chem_comp,chem_comp_HSM,25727,133934,HSM,PDB,HISTAMINE,NON-POLYMER,HSM,HSM,no,2012-11-20,2012-11-20,REL,,,,HSM,17,8,,,,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",,,,,,,,,,,,0,,yes,C5 H9 N3,111.145,,,,,,,,,,,,,,,,,no,,no,1AVN,RCSB,,,,, chem_comp,chem_comp_ZN,25734,134056,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25735,134074,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25736,134092,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DVA,25737,134109,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_4FO,25737,134110,4FO,PDB,"(2R)-2,4-diaminobutanoic acid",D-PEPTIDE LINKING,4FO,4FO,no,2015-08-04,2015-08-04,HOLD,,,,4FO,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,Corina,no,2N5W,RCSB,,,,, chem_comp,chem_comp_DSN,25737,134111,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_DTR,25737,134112,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_CA,26721,143834,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAB,25737,134113,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_28J,25737,134114,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_REO,25738,134130,REO,PDB,PERRHENATE,NON-POLYMER,REO,REO,no,2012-11-20,2012-11-20,REL,,,,REO,5,5,,,,InChI=1S/4O.Re/q;;;-1;,,,,,,,,,,,,-1,,no,O4 Re,250.205,,,,,,,,,,,,,,,,,no,,no,1HNU,RCSB,,,,, chem_comp,chem_comp_REO,25739,134148,REO,PDB,PERRHENATE,NON-POLYMER,REO,REO,no,2012-11-20,2012-11-20,REL,,,,REO,5,5,,,,InChI=1S/4O.Re/q;;;-1;,,,,,,,,,,,,-1,,no,O4 Re,250.205,,,,,,,,,,,,,,,,,no,,no,1HNU,RCSB,,,,, chem_comp,chem_comp_4FO,25741,134198,4FO,PDB,"(2R)-2,4-diaminobutanoic acid",D-PEPTIDE LINKING,4FO,4FO,no,2015-08-04,2015-08-04,HOLD,,,,4FO,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,Corina,no,2N5W,RCSB,,,,, chem_comp,chem_comp_DSN,25741,134199,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_DTR,25741,134200,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAB,25741,134201,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_28J,25741,134202,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_ZN,25742,134218,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PTL,25749,134320,PTL,PDB,PENTANAL,NON-POLYMER,PTL,PTL,no,2012-11-20,2012-11-20,REL,,,,PTL,16,6,,,,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",,,,,,,,,,,,0,,no,C5 H10 O,86.132,,,,,,,,,,,,,,,,,no,,no,1IHT,EBI,,,,, chem_comp,chem_comp_LU,25752,134380,LU,PDB,LUTETIUM (III) ION,NON-POLYMER,LU,LU,no,2012-11-20,2012-11-20,REL,,,,LU,1,1,,,,InChI=1S/Lu/q+3,,,,,,,,,,,LU,3,,no,Lu,174.967,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25757,134480,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DN,25759,134512,DN,PDB,UNKNOWN 2'-DEOXYNUCLEOTIDE,DNA LINKING,DN,DN,no,2012-11-20,2012-11-20,REL,,ROB,N,DN,23,12,,,,"InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C5 H11 O6 P,198.111,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_QUE,25759,134513,QUE,PDB,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",NON-POLYMER,QUE,QUE,no,2012-11-20,2012-11-20,REL,,,,QUE,32,22,,,,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",,,,,,,,,,,QUERCETIN,0,,yes,C15 H10 O7,302.236,,,,,,,,,,,,,,,,,no,,no,2HCK,EBI,,,,, chem_comp,chem_comp_ACE,25764,134597,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DPR,25764,134598,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_4G6,25764,134599,4G6,PDB,"2-methylpropane-1,2-diamine",NON-POLYMER,4G6,4G6,no,2015-08-05,2015-08-05,HOLD,,,,4G6,18,6,,,,"InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3",,,,,,,,,,,,0,,no,C4 H12 N2,88.151,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_NH2,25765,134614,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4FU,25765,134615,4FU,PDB,"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",NON-POLYMER,4FU,4FU,no,2015-08-05,2015-08-05,HOLD,,,,4FU,24,12,,,,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+",,,,,,,,,,,,0,,no,C8 H12 O4,172.178,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_ZN,25766,134632,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,25766,134633,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ADN,25777,134832,ADN,PDB,ADENOSINE,NON-POLYMER,ADN,ADN,no,2012-11-20,2012-11-20,REL,,,,ADN,32,19,,,,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N5 O4,267.241,,,,,,,,,,,,,,,,,no,,no,1BX4,RCSB,,,,, chem_comp,chem_comp_4HH,25786,134996,4HH,PDB,"O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine",L-PEPTIDE LINKING,4HH,4HH,no,2015-09-15,2015-09-15,HOLD,,,,4HH,56,28,,,,"InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1",,,,,SER,,,,,,,0,,no,C14 H28 N3 O9 P S,445.426,,,,,,,,,,,,,,,,,yes,Corina,no,2N6Y,RCSB,,,,, chem_comp,chem_comp_4HJ,25787,135015,4HJ,PDB,"O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine",L-PEPTIDE LINKING,4HJ,4HJ,no,2015-09-15,2015-09-15,HOLD,,,,4HJ,69,37,,,,"InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1",,,,,SER,,,,,,,0,,yes,C21 H32 N3 O11 P S,565.531,,,,,,,,,,,,,,,,,yes,Corina,no,2N6Z,RCSB,,,,, chem_comp,chem_comp_CA,25797,135202,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_0D8,25799,135247,0D8,PDB,3-aminopropan-1-ol,NON-POLYMER,0D8,0D8,no,2012-11-20,2012-11-20,REL,,,,0D8,14,5,,,,"InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2",,,,,,,,,,,,0,,no,C3 H9 N O,75.110,,,,,,,,,,,,,,,,,no,Corina,no,1MTR,RCSB,,,,, chem_comp,chem_comp_NAG,25799,135248,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2014-04-02,2014-04-02,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_FUC,25799,135249,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_G6S,25799,135250,G6S,PDB,D-GALACTOSE-6-SULFATE,D-SACCHARIDE,G6S,G6S,no,2012-11-20,2012-11-20,REL,,,,G6S,28,16,,,,"InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O9 S,260.219,,,,,,,,,,,,,,,,,no,Corina,no,1KES,RCSB,,,,, chem_comp,chem_comp_SIA,25799,135251,SIA,PDB,O-SIALIC ACID,NON-POLYMER,SIA,SIA,no,2012-11-20,2012-11-20,REL,,NAN,,SIA,40,21,,,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1",,,,,,,,,,,,0,,no,C11 H19 N O9,309.270,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,25810,135491,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,27391,154170,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4J4,25810,135492,4J4,PDB,"S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine",L-PEPTIDE LINKING,4J4,4J4,no,2015-09-18,2015-09-18,HOLD,,,,4J4,44,26,,,,"InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1",,,,,CYS,,,,,,,0,,yes,C18 H18 F2 N2 O3 S,380.409,,,,,,,,,,,,,,,,,yes,Corina,no,2N7L,RCSB,,,,, chem_comp,chem_comp_NLE,25813,135539,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,25813,135540,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,25813,135541,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NLE,25814,135556,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_4J2,25814,135557,4J2,PDB,(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid,D-PEPTIDE LINKING,4J2,4J2,no,2015-09-18,2015-09-18,HOLD,,,,4J2,29,16,,,,"InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1",,,,,,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,Corina,no,2N7O,RCSB,,,,, chem_comp,chem_comp_NH2,25814,135558,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,25814,135559,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NLE,25820,135631,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_4J2,25820,135632,4J2,PDB,(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid,D-PEPTIDE LINKING,4J2,4J2,no,2015-09-18,2015-09-18,HOLD,,,,4J2,29,16,,,,"InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1",,,,,,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,Corina,no,2N7O,RCSB,,,,, chem_comp,chem_comp_NH2,25820,135633,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,25820,135634,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CFL,25840,135972,CFL,PDB,4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,DNA LINKING,CFL,CFL,no,2012-11-20,2012-11-20,REL,,,C,CFL,34,21,,,,"InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",,,,,DC,,,,,,2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,0,,no,C9 H13 F N3 O7 P,325.188,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_4LT,25845,136011,4LT,PDB,(2R)-2-fluoropropanoic acid,NON-POLYMER,4LT,4LT,no,2015-12-30,2015-12-30,HOLD,,,,4LT,11,6,,,,"InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H5 F O2,92.069,,,,,,,,,,,,,,,,,no,Corina,no,2N8C,RCSB,,,,, chem_comp,chem_comp_NH2,25846,136030,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HYP,25847,136048,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,25851,136129,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,25859,136276,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,25859,136277,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,25859,136278,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,25859,136279,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_NDP,25860,136302,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_TOP,25860,136303,TOP,PDB,TRIMETHOPRIM,NON-POLYMER,TOP,TOP,no,2012-11-20,2012-11-20,REL,,,,TOP,39,21,,,,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",,,,,,,,,,,,0,,yes,C14 H18 N4 O3,290.318,,,,,,,,,,,,,,,,,no,,no,1DYR,EBI,,,,, chem_comp,chem_comp_NH2,25948,137904,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_BMA,25950,137942,BMA,PDB,BETA-D-MANNOSE,D-SACCHARIDE,BMA,BMA,no,2012-11-20,2012-11-20,REL,,,,BMA,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1CF5,RCSB,,,,, chem_comp,chem_comp_NDP,25861,136322,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_SEP,25865,136376,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_CA,25870,136479,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,25874,136547,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_ZN,25881,136650,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_4JF,25882,136669,4JF,PDB,"(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside",NON-POLYMER,4JF,4JF,no,2016-03-19,2016-03-19,HOLD,,,,4JF,188,98,,,,"InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1",,,,,,,,,,,Lomaiviticin A,0,,yes,C68 H90 N6 O24,1375.468,,,,,,,,,,,,,,,,,no,Corina,no,2N96,RCSB,,,,, chem_comp,chem_comp_ZN,25888,136765,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25891,136856,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25892,136881,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25893,136906,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25894,136931,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,25898,137009,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,25901,137087,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_SEP,25901,137088,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_NH2,25901,137089,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4JA,25903,137128,4JA,PDB,(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate,DNA LINKING,4JA,4JA,no,2015-11-24,2015-11-24,HOLD,,,,4JA,39,20,,,,"InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H19 O10 P,318.215,,,,,,,,,,,,,,,,,yes,Corina,no,2N9F,RCSB,,,,, chem_comp,chem_comp_4JA,25906,137176,4JA,PDB,(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate,DNA LINKING,4JA,4JA,no,2015-11-24,2015-11-24,HOLD,,,,4JA,39,20,,,,"InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1",,,,,,,,,,,,0,,no,C9 H19 O10 P,318.215,,,,,,,,,,,,,,,,,yes,Corina,no,2N9F,RCSB,,,,, chem_comp,chem_comp_HEC,25907,137193,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,25908,137216,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,25913,137320,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25914,137343,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AZW,25915,137368,AZW,PDB,4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate,NON-POLYMER,AZW,AZW,no,2015-12-05,2015-12-05,HOLD,,,,AZW,37,22,,,,"InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+",,,,,,,,,,,,0,,yes,C14 H15 N2 O5 P,322.253,,,,,,,,,,,,,,,,,yes,Corina,no,2N9Q,RCSB,,,,, chem_comp,chem_comp_K,25915,137369,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,K,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LCT,25928,137616,LCT,PDB,"N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide",NON-POLYMER,LCT,LCT,no,2014-11-01,2014-11-01,REL,,,,LCT,26,18,,,,"InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)",,,,,,,,,,,,0,,yes,C10 H8 N4 O3 S,264.261,,,,,,,,,,,,,,,,,no,Corina,no,3WIK,PDBJ,,,,, chem_comp,chem_comp_ZN,25933,137698,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FUC,25951,137960,FUC,PDB,ALPHA-L-FUCOSE,SACCHARIDE,FUC,FUC,no,2012-11-20,2012-11-20,REL,,,,FUC,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1AX0,PDBJ,,,,, chem_comp,chem_comp_ZN,25953,137995,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CY2,25953,137996,CY2,PDB,"S-[3-({(4Z)-4-[(3-BROMOPHENYL)IMINO]-1,4-DIHYDROQUINAZOLIN-6-YL}AMINO)-3-OXOPROPYL]-L-CYSTEINE",NON-POLYMER,CY2,CY2,,2012-11-20,2012-11-20,HPUB,,,,CY2,50,30,,,,"InChI=1S/C20H20BrN5O3S/c21-12-2-1-3-13(8-12)26-19-15-9-14(4-5-17(15)23-11-24-19)25-18(27)6-7-30-10-16(22)20(28)29/h1-5,8-9,11,16H,6-7,10,22H2,(H,25,27)(H,28,29)(H,23,24,26)/t16-/m0/s1",,,,,,,,,,,,0,,yes,C20 H20 Br N5 O3 S,490.374,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,27410,154514,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HE1,25953,137997,HE1,PDB,4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID,NON-POLYMER,HE1,HE1,no,2012-11-20,2012-11-20,REL,,,,HE1,29,16,,,,"InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+",,,,,,,,,,,,0,,yes,C10 H13 O4 P S,260.247,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,1C8V,EBI,,,,, chem_comp,chem_comp_HIE,25953,137998,HIE,PDB,"4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide",NON-POLYMER,HIE,HIE,no,2012-11-20,2012-11-20,REL,,,,HIE,60,33,,,,"InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+",,,,,,,,,,,,0,,yes,C23 H27 F3 N4 O3,464.481,,,,,,,,,,,,,,,,,no,Corina,no,3OPD,RCSB,,,,, chem_comp,chem_comp_NH2,25954,138020,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,25955,138036,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,25967,138237,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,25971,138300,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,25974,138348,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,25982,138428,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4FU,25982,138429,4FU,PDB,"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",NON-POLYMER,4FU,4FU,no,2015-10-24,2015-10-24,REL,,,,4FU,24,12,,,,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+",,,,,,,,,,,,0,,no,C8 H12 O4,172.178,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_DAL,25982,138430,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,25982,138431,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_4G6,25982,138432,4G6,PDB,"2-methylpropane-1,2-diamine",NON-POLYMER,4G6,4G6,no,2015-10-24,2015-10-24,REL,,,,4G6,18,6,,,,"InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3",,,,,,,,,,,,0,,no,C4 H12 N2,88.151,,,,,,,,,,,,,,,,,no,Corina,no,2N4N,RCSB,,,,, chem_comp,chem_comp_ACE,25982,138433,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_PAM,25984,138471,PAM,PDB,PALMITOLEIC ACID,NON-POLYMER,PAM,PAM,no,2012-11-20,2012-11-20,REL,,,,PAM,48,18,,,,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",,,,,,,,,,,,0,,no,C16 H30 O2,254.408,,,,,,,,,,,,,,,,,no,,no,1FAG,RCSB,,,,, chem_comp,chem_comp_ZN,25988,138553,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ALL,26005,138990,ALL,PDB,D-ALLOPYRANOSE,D-SACCHARIDE,ALL,ALL,no,2012-11-20,2012-11-20,REL,,,,ALL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_GAL,26006,139006,GAL,PDB,BETA-D-GALACTOSE,D-SACCHARIDE,GAL,GAL,no,2012-11-20,2012-11-20,REL,,GLB,,GAL,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2SBA,EBI,,,,, chem_comp,chem_comp_XYP,26007,139022,XYP,PDB,BETA-D-XYLOPYRANOSE,D-SACCHARIDE,XYP,XYP,no,2012-11-20,2012-11-20,REL,,,,XYP,20,10,,,,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 O5,150.130,,,,,,,,,,,,,,,,,no,,no,1QH7,RCSB,,,,, chem_comp,chem_comp_4N2,26008,139038,4N2,PDB,beta-L-idopyranose,NON-POLYMER,4N2,4N2,no,2016-03-22,2016-03-22,HOLD,,,,4N2,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1",,,,,,,,,,,L-iodose,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,2NC6,RCSB,,,,, chem_comp,chem_comp_CA,26016,139132,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,26028,139289,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,26030,139326,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MLY,26047,139645,MLY,PDB,N-DIMETHYL-LYSINE,L-PEPTIDE LINKING,MLY,MLY,no,2012-11-20,2012-11-20,REL,,TRG,K,MLY,30,12,,,,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,,, chem_comp,chem_comp_HEM,26048,139664,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_ALY,26059,139852,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_KCR,26060,139890,KCR,PDB,N-6-crotonyl-L-lysine,L-PEPTIDE LINKING,KCR,KCR,no,2015-09-11,2015-09-11,REL,,,,KCR,33,15,,,,"InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1",,,,,LYS,,,,,,,0,,no,C10 H18 N2 O3,214.262,,,,,,,,,,,,,,,,,no,Corina,no,4YYD,RCSB,,,,, chem_comp,chem_comp_PX4,26507,140571,PX4,PDB,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PX4,PX4,no,2012-11-20,2012-11-20,REL,,,,PX4,119,46,,,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,,, chem_comp,chem_comp_lacmoid,26508,140639,lacmoid,BMRB,lacmoid,NON-POLYMER,lacmoid,lacmoid,no,2015-02-13,2015-02-13,REL,,,,lacmoid,48,48,,24856600,,"InChI=1S/C24H16N2O6.C24H15NO7/c25-17-9-23-18(7-15(17)13-3-1-11(27)5-20(13)29)26-19-8-16(22(31)10-24(19)32-23)14-4-2-12(28)6-21(14)30;26-11-1-3-13(19(28)5-11)15-7-17-23(9-21(15)30)32-24-10-22(31)16(8-18(24)25-17)14-4-2-12(27)6-20(14)29/h1-10,26-27,29-30H,25H2;1-10,25-26,28-30H/b2*16-14-",,,,,,,,,,,Resorcin blue; Fluorescent Sapphine Blue; Fluorescent Blue,0,,yes,C24 H16 N2 O6,428.39,,,,,,,,,,,,,,,,,no,Corina,yes,,BMRB,,,,, chem_comp,chem_comp_DMP,26511,140703,DMP,PDB,"[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE",NON-POLYMER,DMP,DMP,no,2012-11-20,2012-11-20,REL,,,,DMP,80,42,,,,"InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1",,,,,,,,,,,DMP323(INHIBITOR OF DUPONT MERCK),0,,yes,C35 H38 N2 O5,566.687,,,,,,,,,,,,,,,,,no,,no,1MEU,RCSB,,,,, chem_comp,chem_comp_GLN,26514,140777,GLN,PDB,GLUTAMINE,L-PEPTIDE LINKING,GLN,GLN,no,2012-11-20,2012-11-20,REL,,,Q,GLN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CGO,26516,140833,CGO,PDB,"sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)",NON-POLYMER,CGO,CGO,no,2012-11-20,2012-11-20,REL,,,,CGO,70,48,,,,"InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;",,,,,,,,,,,congo red,0,,yes,C32 H22 N6 Na2 O6 S2,696.663,,,,,,,,,,,,,,,,,no,Corina,yes,2LBU,PDBJ,,,,, chem_comp,chem_comp_BEF,26532,141066,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_BEF,26535,141121,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_AIB,26536,141137,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_AIB,26537,141152,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_PH8,26537,141153,PH8,PDB,5-phenyl-L-norvaline,L-PEPTIDE LINKING,PH8,PH8,no,2015-03-11,2015-03-11,HOLD,,,,PH8,29,14,,,,"InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1",,,,,,,,,,,,0,,yes,C11 H15 N O2,193.242,,,,,,,,,,,,,,,,,no,Corina,no,2N0I,RCSB,,,,, chem_comp,chem_comp_NH2,26537,141154,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_KCY,26538,141169,KCY,PDB,D-homocysteine,D-PEPTIDE LINKING,KCY,KCY,no,2015-03-11,2015-03-11,HOLD,,,,KCY,17,8,,,,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,Corina,no,2N0I,RCSB,,,,, chem_comp,chem_comp_HCS,26538,141170,HCS,PDB,2-AMINO-4-MERCAPTO-BUTYRIC ACID,L-PEPTIDE LINKING,HCS,HCS,no,2012-11-20,2012-11-20,REL,,,X,HCS,17,8,,,,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1JVI,RCSB,,,,, chem_comp,chem_comp_PH8,26538,141171,PH8,PDB,5-phenyl-L-norvaline,L-PEPTIDE LINKING,PH8,PH8,no,2015-03-11,2015-03-11,HOLD,,,,PH8,29,14,,,,"InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1",,,,,,,,,,,,0,,yes,C11 H15 N O2,193.242,,,,,,,,,,,,,,,,,no,Corina,no,2N0I,RCSB,,,,, chem_comp,chem_comp_NH2,26538,141172,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_TPO,26545,141234,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_CA,26571,141543,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CYC,26577,141617,CYC,PDB,PHYCOCYANOBILIN,NON-POLYMER,CYC,CYC,no,2014-05-02,2014-05-02,REL,,,,CYC,83,43,,,,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,Corina,no,1CPC,RCSB,,,,, chem_comp,chem_comp_HEC,26578,141635,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CYC,26582,141700,CYC,PDB,PHYCOCYANOBILIN,NON-POLYMER,CYC,CYC,no,2014-05-02,2014-05-02,REL,,,,CYC,83,43,,,,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C33 H40 N4 O6,588.694,,,,,,,,,,,,,,,,,no,Corina,no,1CPC,RCSB,,,,, chem_comp,chem_comp_NAP,26583,141719,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,2012-11-20,2012-11-20,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_THG,26583,141720,THG,PDB,"(6S)-5,6,7,8-TETRAHYDROFOLATE",NON-POLYMER,THG,THG,no,2012-11-20,2012-11-20,REL,,,,THG,55,32,,,,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H23 N7 O6,445.429,,,,,,,,,,,,,,,,,no,,no,1KZI,EBI,,,,, chem_comp,chem_comp_NAP,26584,141738,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,2012-11-20,2012-11-20,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_FOL,26584,141739,FOL,PDB,FOLIC ACID,NON-POLYMER,FOL,FOL,no,2012-11-20,2012-11-20,REL,,FA,,FOL,51,32,,,,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,,, chem_comp,chem_comp_NDP,26585,141756,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_1YM,26598,141939,1YM,PDB,"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",NON-POLYMER,1YM,1YM,no,2013-11-08,2013-11-08,REL,,,,1YM,44,30,,,,"InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)",,,,,,,,,,,,0,,yes,C18 H14 F3 N5 O3 S,437.396,,,,,,,,,,,,,,,,,no,Corina,no,4LP0,RCSB,,,,, chem_comp,chem_comp_1YM,26609,142099,1YM,PDB,"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",NON-POLYMER,1YM,1YM,no,2013-11-08,2013-11-08,REL,,,,1YM,44,30,,,,"InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)",,,,,,,,,,,,0,,yes,C18 H14 F3 N5 O3 S,437.396,,,,,,,,,,,,,,,,,no,Corina,no,4LP0,RCSB,,,,, chem_comp,chem_comp_1YM,26611,142129,1YM,PDB,"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",NON-POLYMER,1YM,1YM,no,2013-11-08,2013-11-08,REL,,,,1YM,44,30,,,,"InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)",,,,,,,,,,,,0,,yes,C18 H14 F3 N5 O3 S,437.396,,,,,,,,,,,,,,,,,no,Corina,no,4LP0,RCSB,,,,, chem_comp,chem_comp_ZN,26645,142658,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LAT,26660,142894,LAT,PDB,BETA-LACTOSE,SACCHARIDE,LAT,LAT,no,2012-11-20,2012-11-20,REL,,,,LAT,45,23,,,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,,, chem_comp,chem_comp_HYP,26674,143028,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_HYP,26675,143044,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_BAL,26677,143076,BAL,PDB,BETA-ALANINE,PEPTIDE-LIKE,BAL,BAL,no,2012-11-20,2012-11-20,REL,,,,BAL,13,6,,,,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,1MCE,RCSB,,,,, chem_comp,chem_comp_PCA,26679,143108,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,26680,143124,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,26685,143201,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,26686,143217,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MYR,26688,143249,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_MG,26688,143250,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,26691,143288,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NDP,26694,143338,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_TOP,26694,143339,TOP,PDB,TRIMETHOPRIM,NON-POLYMER,TOP,TOP,no,2012-11-20,2012-11-20,REL,,,,TOP,39,21,,,,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",,,,,,,,,,,,0,,yes,C14 H18 N4 O3,290.318,,,,,,,,,,,,,,,,,no,,no,1DYR,EBI,,,,, chem_comp,chem_comp_NDP,26695,143358,NDP,PDB,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NDP,NDP,no,2012-11-20,2012-11-20,REL,,,,NDP,78,48,,,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,,, chem_comp,chem_comp_SEP,26702,143439,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,26702,143440,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_CA,26724,143896,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,26741,144125,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AKG,26741,144126,AKG,PDB,2-OXOGLUTARIC ACID,NON-POLYMER,AKG,AKG,no,2012-11-20,2012-11-20,REL,,2OG,,AKG,16,10,,,,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",,,,,,,,,,,,0,,no,C5 H6 O5,146.098,,,,,,,,,,,,,,,,,no,Corina,no,1DS1,RCSB,,,,, chem_comp,chem_comp_ZN,26742,144151,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AKG,26742,144152,AKG,PDB,2-OXOGLUTARIC ACID,NON-POLYMER,AKG,AKG,no,2012-11-20,2012-11-20,REL,,2OG,,AKG,16,10,,,,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",,,,,,,,,,,,0,,no,C5 H6 O5,146.098,,,,,,,,,,,,,,,,,no,Corina,no,1DS1,RCSB,,,,, chem_comp,chem_comp_BTR,26743,144174,BTR,PDB,6-BROMO-TRYPTOPHAN,L-PEPTIDE LINKING,BTR,BTR,no,2012-11-20,2012-11-20,REL,,,W,BTR,27,16,,,,"InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1",,,,,TRP,,,,,,,0,,yes,C11 H11 Br N2 O2,283.121,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,26750,144263,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_MIV,26750,144264,MIV,PDB,MYCINAMICIN IV,NON-POLYMER,MIV,MIV,no,2012-11-20,2012-11-20,REL,,,,MIV,110,49,,,,"InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1",,,,,,,,,,,,0,,no,C37 H61 N O11,695.880,,,,,,,,,,,,,,,,,no,Corina,no,2Y46,EBI,,,,, chem_comp,chem_comp_APR,26753,144318,APR,PDB,ADENOSINE-5-DIPHOSPHORIBOSE,NON-POLYMER,APR,APR,no,2012-11-20,2012-11-20,REL,,,,APR,59,36,,,,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1",,,,,,,,,,,,0,,yes,C15 H23 N5 O14 P2,559.316,,,,,,,,,,,,,,,,,no,,no,1G9Q,RCSB,,,,, chem_comp,chem_comp_ZN,26754,144336,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DEX,26756,144370,DEX,PDB,DEXAMETHASONE,NON-POLYMER,DEX,DEX,no,2012-11-20,2012-11-20,REL,,,,DEX,57,28,,,,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",,,,,,,,,,,9A-FLUORO-16BETA-METHYLPREDNISOLONE,0,,no,C22 H29 F O5,392.461,,,,,,,,,,,,,,,,,no,,no,1M2Z,RCSB,,,,, chem_comp,chem_comp_CPS,26756,144371,CPS,PDB,3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE,NON-POLYMER,CPS,CPS,no,2012-11-20,2012-11-20,REL,,,,CPS,100,42,,,,"InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1",,,,,,,,,,,CHAPS,0,,no,C32 H58 N2 O7 S,614.877,,,,,,,,,,,,,,,,,no,Corina,no,1F6A,RCSB,,,,, chem_comp,chem_comp_DEX,26757,144392,DEX,PDB,DEXAMETHASONE,NON-POLYMER,DEX,DEX,no,2012-11-20,2012-11-20,REL,,,,DEX,57,28,,,,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",,,,,,,,,,,9A-FLUORO-16BETA-METHYLPREDNISOLONE,0,,no,C22 H29 F O5,392.461,,,,,,,,,,,,,,,,,no,,no,1M2Z,RCSB,,,,, chem_comp,chem_comp_CPS,26757,144393,CPS,PDB,3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE,NON-POLYMER,CPS,CPS,no,2012-11-20,2012-11-20,REL,,,,CPS,100,42,,,,"InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1",,,,,,,,,,,CHAPS,0,,no,C32 H58 N2 O7 S,614.877,,,,,,,,,,,,,,,,,no,Corina,no,1F6A,RCSB,,,,, chem_comp,chem_comp_TES,26763,144493,TES,PDB,TESTOSTERONE,NON-POLYMER,TES,TES,no,2012-11-20,2012-11-20,REL,,,,TES,49,21,,,,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",,,,,,,,,,,,0,,no,C19 H28 O2,288.424,,,,,,,,,,,,,,,,,no,,no,1AFS,PDBJ,,,,, chem_comp,chem_comp_MG,26769,144595,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_MG,26776,144714,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_BEF,26776,144715,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_MG,26777,144736,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_BEF,26777,144737,BEF,PDB,BERYLLIUM TRIFLUORIDE ION,NON-POLYMER,BEF,BEF,no,2012-11-20,2012-11-20,REL,,,,BEF,4,4,,,,InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3,,,,,,,,,,,,-1,,no,Be F3,66.007,,,,,,,,,,,,,,,,,no,,yes,1LVK,RCSB,,,,, chem_comp,chem_comp_MG,26778,144757,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_SEP,26786,144879,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,26786,144880,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_GDP,26787,144898,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,26787,144899,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_PCA,26790,144954,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,26791,144972,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DTR,26794,145038,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26794,145039,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_PCA,27391,154171,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DTR,26795,145057,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26795,145058,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_DTR,26796,145076,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26796,145077,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_DTR,26797,145095,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26797,145096,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_DTR,26798,145114,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26798,145115,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_DTR,26799,145133,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_WFP,26799,145134,WFP,PDB,"3,5-difluoro-L-phenylalanine",L-PEPTIDE LINKING,WFP,WFP,no,2012-11-20,2012-11-20,REL,,,,WFP,23,14,,,,"InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H9 F2 N O2,201.170,,,,,,,,,,,,,,,,,no,Corina,no,3KTJ,PDBJ,,,,, chem_comp,chem_comp_ZN,26807,145276,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,26808,145297,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,26810,145331,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_RET,26812,145366,RET,PDB,RETINAL,NON-POLYMER,RET,RET,no,2012-11-20,2012-11-20,REL,,,,RET,49,21,,,,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",,,,,,,,,,,,0,,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,Corina,no,1OPB,EBI,,,,, chem_comp,chem_comp_RET,26813,145382,RET,PDB,RETINAL,NON-POLYMER,RET,RET,no,2012-11-20,2012-11-20,REL,,,,RET,49,21,,,,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",,,,,,,,,,,,0,,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,Corina,no,1OPB,EBI,,,,, chem_comp,chem_comp_ADP,26815,145418,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_OTA,26838,145801,OTA,PDB,"2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID",NON-POLYMER,OTA,OTA,no,2012-11-20,2012-11-20,REL,,,,OTA,28,18,,,,"InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)",,,,,,,,,,,,0,,yes,C10 H10 N2 O5 S,270.262,,,,,,,,,,,,,,,,,no,,no,1C88,RCSB,,,,, chem_comp,chem_comp_ZN,26843,145895,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_OTA,26847,145969,OTA,PDB,"2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID",NON-POLYMER,OTA,OTA,no,2012-11-20,2012-11-20,REL,,,,OTA,28,18,,,,"InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)",,,,,,,,,,,,0,,yes,C10 H10 N2 O5 S,270.262,,,,,,,,,,,,,,,,,no,,no,1C88,RCSB,,,,, chem_comp,chem_comp_SAM,26848,145990,SAM,PDB,S-ADENOSYLMETHIONINE,NON-POLYMER,SAM,SAM,no,2012-11-20,2012-11-20,REL,,,,SAM,49,27,,,,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1",,,,,,,,,,,,0,,yes,C15 H22 N6 O5 S,398.437,,,,,,,,,,,,,,,,,no,,no,1CMC,PDBJ,,,,, chem_comp,chem_comp_DNC,26848,145991,DNC,PDB,"3,5-DINITROCATECHOL",NON-POLYMER,DNC,DNC,no,2012-11-20,2012-11-20,REL,,,,DNC,18,14,,,,"InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H",,,,,,,,,,,,0,,yes,C6 H4 N2 O6,200.106,,,,,,,,,,,,,,,,,no,,no,1VID,EBI,,,,, chem_comp,chem_comp_MG,26848,145992,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_SFG,26851,146044,SFG,PDB,SINEFUNGIN,NON-POLYMER,SFG,SFG,no,2012-11-20,2012-11-20,REL,,,,SFG,50,27,,,,"InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1",,,,,,,,,,,ADENOSYL-ORNITHINE,0,,yes,C15 H23 N7 O5,381.387,,,,,,,,,,,,,,,,,no,Corina,no,1AQJ,RCSB,,,,, chem_comp,chem_comp_DNC,26851,146045,DNC,PDB,"3,5-DINITROCATECHOL",NON-POLYMER,DNC,DNC,no,2012-11-20,2012-11-20,REL,,,,DNC,18,14,,,,"InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H",,,,,,,,,,,,0,,yes,C6 H4 N2 O6,200.106,,,,,,,,,,,,,,,,,no,,no,1VID,EBI,,,,, chem_comp,chem_comp_MG,26851,146046,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_FMN,26854,146093,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2016-02-17,2016-02-17,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,Corina,no,1FLM,RCSB,,,,, chem_comp,chem_comp_CA,26861,146180,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,26885,146506,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_HEM,26886,146522,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_ACE,26927,147041,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_7HS,26933,147109,7HS,PDB,(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide,NON-POLYMER,7HS,7HS,no,2017-06-10,2017-06-10,REL,,,,7HS,51,23,,,,"InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1",,,,,,,,,,,,0,,no,C14 H28 N6 O3,328.411,,,,,,,,,,,,,,,,,no,Corina,no,5H6V,RCSB,,,,, chem_comp,chem_comp_ZN,26940,147225,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,26946,147311,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5U0,26947,147329,5U0,PDB,s-farnesyl-l-cysteine methyl ester,NON-POLYMER,5U0,5U0,no,2015-12-02,2015-12-02,HOLD,,,,5U0,56,23,,,,"InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1",,,,,,,,,,,,0,,no,C19 H33 N O2 S,339.536,,,,,,,,,,,,,,,,,no,Corina,no,5F2U,EBI,,,,, chem_comp,chem_comp_CA,26956,147443,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,26960,147515,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,26960,147516,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_HXG,26971,147708,HXG,PDB,"1,2-dihexanoyl-sn-glycero-3-phosphocholine",NON-POLYMER,HXG,HXG,no,2015-02-27,2015-02-27,REL,,,,HXG,71,30,,,,"InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1",,,,,,,,,,,"(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide",1,,no,C20 H41 N O8 P,454.515,,,,,,,,,,,,,,,,,no,Corina,no,4TSO,RCSB,,,,, chem_comp,chem_comp_SAM,26972,147723,SAM,PDB,S-ADENOSYLMETHIONINE,NON-POLYMER,SAM,SAM,no,2012-11-20,2012-11-20,REL,,,,SAM,49,27,,,,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1",,,,,,,,,,,,0,,yes,C15 H22 N6 O5 S,398.437,,,,,,,,,,,,,,,,,no,,no,1CMC,PDBJ,,,,, chem_comp,chem_comp_HEC,26973,147739,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_GDP,26975,147773,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GDP,26976,147791,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_1MC,26978,147829,1MC,PDB,1-METHYLCYTOSINE,NON-POLYMER,1MC,1MC,no,2012-11-20,2012-11-20,REL,,,,1MC,16,9,,,,"InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)",,,,,,,,,,,,0,,no,C5 H7 N3 O,125.129,,,,,,,,,,,,,,,,,no,,no,1BKY,EBI,,,,, chem_comp,chem_comp_ZN,26982,147896,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SRO,26983,147915,SRO,PDB,SEROTONIN,NON-POLYMER,SRO,SRO,,2012-11-20,2012-11-20,REL,,,,SRO,25,13,,,,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",,,,,,,,,,,3-(2-AMINOETHYL)-1H-INDOL-5-OL,0,,yes,C10 H12 N2 O,176.215,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_HSM,26983,147916,HSM,PDB,HISTAMINE,NON-POLYMER,HSM,HSM,no,2012-11-20,2012-11-20,REL,,,,HSM,17,8,,,,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",,,,,,,,,,,,0,,yes,C5 H9 N3,111.145,,,,,,,,,,,,,,,,,no,,no,1AVN,RCSB,,,,, chem_comp,chem_comp_FME,26992,148016,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_TYS,27,148153,TYS,PDB,O-SULFO-L-TYROSINE,L-PEPTIDE LINKING,TYS,TYS,no,1999-07-08,2011-12-14,REL,,STY,Y,TYS,28,17,,,,"InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_CA,28058,164099,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AP5,27004,148231,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_CA,27404,154410,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ATP,27005,148249,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,NON-POLYMER,ATP,ATP,no,2012-11-20,2012-11-20,REL,,,,ATP,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,,, chem_comp,chem_comp_AP5,27007,148267,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_ATP,27008,148285,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,NON-POLYMER,ATP,ATP,no,2012-11-20,2012-11-20,REL,,,,ATP,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,,, chem_comp,chem_comp_AP5,27010,148303,AP5,PDB,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,NON-POLYMER,AP5,AP5,no,2012-11-20,2012-11-20,REL,,,,AP5,86,57,,,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,,, chem_comp,chem_comp_CA,27017,148431,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,27019,148453,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADP,27022,148489,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_3PG,27022,148490,3PG,PDB,3-PHOSPHOGLYCERIC ACID,NON-POLYMER,3PG,3PG,no,2012-11-20,2012-11-20,REL,,MP3,,3PG,18,11,,,,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 O7 P,186.057,,,,,,,,,,,,,,,,,no,,no,1QHF,RCSB,,,,, chem_comp,chem_comp_MGF,27022,148491,MGF,PDB,TRIFLUOROMAGNESATE,NON-POLYMER,MGF,MGF,no,2012-11-20,2012-11-20,REL,,,,MGF,4,4,,,,InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3,,,,,,,,,,,,-1,,no,F3 Mg,81.300,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,27022,148492,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,27028,148591,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,27043,148821,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,27060,149081,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_MPO,27069,149215,MPO,PDB,3[N-MORPHOLINO]PROPANE SULFONIC ACID,NON-POLYMER,MPO,MPO,no,2012-11-20,2012-11-20,REL,,,,MPO,28,13,,,,"InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)",,,,,,,,,,,,0,,no,C7 H15 N O4 S,209.263,,,,,,,,,,,,,,,,,no,,no,1EZ1,RCSB,,,,, chem_comp,chem_comp_SEP,27075,149336,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_PTR,27077,149367,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PD1,27083,149493,PD1,PDB,"1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA",NON-POLYMER,PD1,PD1,no,2012-11-20,2012-11-20,REL,,,,PD1,79,38,,,,"InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)",,,,,,,,,,,PD 173074,0,,yes,C28 H41 N7 O3,523.670,,,,,,,,,,,,,,,,,no,,no,2FGI,EBI,,,,, chem_comp,chem_comp_ACE,27092,149670,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,27092,149671,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_OLA,27112,149934,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-11-20,2012-11-20,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_VO4,27122,150022,VO4,PDB,VANADATE ION,NON-POLYMER,VO4,VO4,no,2012-11-20,2012-11-20,REL,,,,VO4,5,5,,,,InChI=1S/4O.V/q;3*-1;,,,,,,,,,,,,-3,,no,O4 V,114.939,,,,,,,,,,,,,,,,,no,,no,3RNT,RCSB,,,,, chem_comp,chem_comp_GCH,27136,150246,GCH,PDB,GLYCOCHOLIC ACID,NON-POLYMER,GCH,GCH,no,2012-11-20,2012-11-20,REL,,,,GCH,76,33,,,,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,,, chem_comp,chem_comp_9WP,27144,150388,9WP,PDB,4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide,NON-POLYMER,9WP,9WP,no,2017-06-20,2017-06-20,HOLD,,,,9WP,57,32,,,,"InChI=1S/C24H25F3N2O3/c1-15-21(23(31)28-17-8-6-16(7-9-17)24(25,26)27)22-18(19(30)10-11-20(22)32-15)14-29-12-4-2-3-5-13-29/h6-11,30H,2-5,12-14H2,1H3,(H,28,31)",,,,,,,,,,,,0,,yes,C24 H25 F3 N2 O3,446.462,,,,,,,,,,,,,,,,,no,Corina,no,5W77,RCSB,,,,, chem_comp,chem_comp_MG,30400,172714,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_B16,27174,150853,B16,PDB,"1,6-di-O-phosphono-beta-D-glucopyranose",D-SACCHARIDE,B16,B16,no,2012-11-20,2012-11-20,REL,,,,B16,34,20,,,,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H14 O12 P2,340.116,,,,,,,,,,,,,,,,,no,Corina,no,2I55,PDBJ,,,,, chem_comp,chem_comp_MG,27174,150854,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_B16,27175,150871,B16,PDB,"1,6-di-O-phosphono-beta-D-glucopyranose",D-SACCHARIDE,B16,B16,no,2012-11-20,2012-11-20,REL,,,,B16,34,20,,,,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H14 O12 P2,340.116,,,,,,,,,,,,,,,,,no,Corina,no,2I55,PDBJ,,,,, chem_comp,chem_comp_CA,27199,151230,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,27214,151450,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_FMN,27224,151584,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2016-02-17,2016-02-17,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,Corina,no,1FLM,RCSB,,,,, chem_comp,chem_comp_ZN,27250,151998,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,27251,152015,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MLZ,27251,152016,MLZ,PDB,N-METHYL-LYSINE,L-PEPTIDE LINKING,MLZ,MLZ,no,2012-11-20,2012-11-20,REL,,,K,MLZ,27,11,,,,"InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1",,,,,LYS,,,,,,,0,,no,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,yes,,no,1XER,RCSB,,,,, chem_comp,chem_comp_HEC,27254,152049,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_LAT,27255,152066,LAT,PDB,BETA-LACTOSE,SACCHARIDE,LAT,LAT,no,2012-11-20,2012-11-20,REL,,,,LAT,45,23,,,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,,, chem_comp,chem_comp_LAT,27256,152084,LAT,PDB,BETA-LACTOSE,SACCHARIDE,LAT,LAT,no,2012-11-20,2012-11-20,REL,,,,LAT,45,23,,,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,,, chem_comp,chem_comp_LAT,27257,152102,LAT,PDB,BETA-LACTOSE,SACCHARIDE,LAT,LAT,no,2012-11-20,2012-11-20,REL,,,,LAT,45,23,,,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,,, chem_comp,chem_comp_LAT,27258,152120,LAT,PDB,BETA-LACTOSE,SACCHARIDE,LAT,LAT,no,2012-11-20,2012-11-20,REL,,,,LAT,45,23,,,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,,, chem_comp,chem_comp_ZMA,27261,152169,ZMA,PDB,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",NON-POLYMER,ZMA,ZMA,no,2012-11-20,2012-11-20,REL,,,,ZMA,40,25,,,,"InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)",,,,,,,,,,,,0,,yes,C16 H15 N7 O2,337.336,,,,,,,,,,,,,,,,,no,Corina,no,3EML,RCSB,,,,, chem_comp,chem_comp_SEP,27270,152315,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27273,152371,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,27273,152372,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,27274,152389,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,27274,152390,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,27284,152548,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_CMO,27284,152549,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,2012-11-20,2012-11-20,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_5FW,27293,152691,5FW,PDB,ISOPRENALINE,NON-POLYMER,5FW,5FW,no,2012-11-20,2012-11-20,REL,,,,5FW,32,15,,,,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1",,,,,,,,,,,,0,,yes,C11 H17 N O3,211.258,,,,,,,,,,,,,,,,,no,Corina,no,2Y03,EBI,,,,, chem_comp,chem_comp_5FW,27295,152723,5FW,PDB,ISOPRENALINE,NON-POLYMER,5FW,5FW,no,2012-11-20,2012-11-20,REL,,,,5FW,32,15,,,,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1",,,,,,,,,,,,0,,yes,C11 H17 N O3,211.258,,,,,,,,,,,,,,,,,no,Corina,no,2Y03,EBI,,,,, chem_comp,chem_comp_5FW,27297,152757,5FW,PDB,ISOPRENALINE,NON-POLYMER,5FW,5FW,no,2012-11-20,2012-11-20,REL,,,,5FW,32,15,,,,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1",,,,,,,,,,,,0,,yes,C11 H17 N O3,211.258,,,,,,,,,,,,,,,,,no,Corina,no,2Y03,EBI,,,,, chem_comp,chem_comp_SXO,27298,152774,SXO,PDB,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",NON-POLYMER,SXO,SXO,no,2012-11-20,2012-11-20,REL,,,,SXO,68,31,,,,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1",,,,,,,,,,,,0,,no,C19 H37 N2 O8 P S,484.544,,,,,,,,,,,,,,,,,no,Corina,no,2KGC,RCSB,,,,, chem_comp,chem_comp_PNS,27304,152871,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_SEP,27320,153037,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27337,153238,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_PTR,27362,153627,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,27363,153647,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_ZN,27364,153666,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27364,153667,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27366,153701,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27366,153702,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27367,153721,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27367,153722,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27368,153741,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27368,153742,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27369,153762,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27369,153763,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27370,153783,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27370,153784,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27371,153804,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27371,153805,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_ZN,27372,153825,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_5CM,27372,153826,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_1N1,27373,153844,1N1,PDB,"N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE",NON-POLYMER,1N1,1N1,no,2012-11-20,2012-11-20,REL,,,,1N1,59,33,,,,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",,,,,,,,,,,Dasatinib,0,,yes,C22 H26 Cl N7 O2 S,488.006,,,,,,,,,,,,,,,,,no,Corina,no,2GQG,RCSB,,,,, chem_comp,chem_comp_K13,27377,153910,K13,PDB,"(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate",NON-POLYMER,K13,K13,no,2012-11-20,2012-11-20,REL,,,,K13,78,39,,,,"InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1",,,,,,,,,,,,0,,yes,C28 H39 N3 O7 S,561.690,,,,,,,,,,,,,,,,,no,Corina,no,3O99,RCSB,,,,, chem_comp,chem_comp_K13,27378,153929,K13,PDB,"(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate",NON-POLYMER,K13,K13,no,2012-11-20,2012-11-20,REL,,,,K13,78,39,,,,"InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1",,,,,,,,,,,,0,,yes,C28 H39 N3 O7 S,561.690,,,,,,,,,,,,,,,,,no,Corina,no,3O99,RCSB,,,,, chem_comp,chem_comp_HYP,27379,153947,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27379,153948,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27379,153949,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27382,154000,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27382,154001,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27382,154002,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27383,154019,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27383,154020,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27383,154021,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27384,154039,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27384,154040,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27384,154041,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27385,154058,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27385,154059,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27385,154060,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27386,154077,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27386,154078,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27386,154079,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GDP,27387,154097,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_HYP,27388,154112,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27388,154113,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27388,154114,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27389,154131,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27389,154132,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,27389,154133,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27390,154150,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,27390,154151,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NA,36022,189786,NA,PDB,SODIUM ION,NON-POLYMER,NA,NA,no,2012-11-20,2012-11-20,REL,,,,NA,1,1,,,,InChI=1S/Na/q+1,,,,,,,,,,,,1,,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,27390,154152,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,27391,154169,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_SAM,27417,154630,SAM,PDB,S-ADENOSYLMETHIONINE,NON-POLYMER,SAM,SAM,no,2012-11-20,2012-11-20,REL,,,,SAM,49,27,,,,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1",,,,,,,,,,,,0,,yes,C15 H22 N6 O5 S,398.437,,,,,,,,,,,,,,,,,no,,no,1CMC,PDBJ,,,,, chem_comp,chem_comp_HSE,27434,154875,HSE,PDB,L-HOMOSERINE,L-PEPTIDE LINKING,HSE,HSE,no,2012-11-20,2012-11-20,REL,,,S,HSE,17,8,,,,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",,,,,SER,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,1EBU,RCSB,,,,, chem_comp,chem_comp_HSD,27434,154876,HSD,PDB,"(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",NON-POLYMER,HSD,HSD,no,2012-12-22,2012-12-22,REL,,,,HSD,25,12,,,,"InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1",,,,,,,,,,,,0,,no,C7 H13 N O4,175.182,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_PCB,27434,154877,PCB,PDB,"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL",NON-POLYMER,PCB,PCB,no,2012-11-20,2012-11-20,REL,,,,PCB,34,24,,,,"InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3",,,,,,,,,,,,0,,yes,C14 H10 Cl4 O4 S2,448.169,,,,,,,,,,,,,,,,,no,,no,1UTR,RCSB,,,,, chem_comp,chem_comp_ZN,27447,155075,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAH,27452,155184,SAH,PDB,S-ADENOSYL-L-HOMOCYSTEINE,L-PEPTIDE LINKING,SAH,SAH,no,2012-11-20,2012-11-20,REL,,,C,SAH,46,26,,,,"InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",,,,,CYS,,,,,,,0,,yes,C14 H20 N6 O5 S,384.411,,,,,,,,,,,,,,,,,no,,no,1VP9,RCSB,,,,, chem_comp,chem_comp_ZN,27459,155300,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NAP,27463,155380,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,2012-11-20,2012-11-20,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_RET,27465,155411,RET,PDB,RETINAL,NON-POLYMER,RET,RET,no,2012-11-20,2012-11-20,REL,,,,RET,49,21,,,,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",,,,,,,,,,,,0,,no,C20 H28 O,284.436,,,,,,,,,,,,,,,,,no,Corina,no,1OPB,EBI,,,,, chem_comp,chem_comp_FMN,27469,155477,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2016-02-17,2016-02-17,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,Corina,no,1FLM,RCSB,,,,, chem_comp,chem_comp_FMN,27470,155494,FMN,PDB,FLAVIN MONONUCLEOTIDE,NON-POLYMER,FMN,FMN,no,2016-02-17,2016-02-17,REL,,,,FMN,52,31,,,,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,Corina,no,1FLM,RCSB,,,,, chem_comp,chem_comp_ZAE,27478,155614,ZAE,PDB,N-methyl-D-phenylalanine,D-PEPTIDE LINKING,ZAE,ZAE,no,2012-11-20,2012-11-20,REL,,,,ZAE,26,13,,,,"InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DGN,27478,155615,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_28J,27478,155616,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_DTH,27478,155617,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZAE,27479,155632,ZAE,PDB,N-methyl-D-phenylalanine,D-PEPTIDE LINKING,ZAE,ZAE,no,2012-11-20,2012-11-20,REL,,,,ZAE,26,13,,,,"InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DGN,27479,155633,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_28J,27479,155634,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_DTH,27479,155635,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CL,30426,173234,CL,PDB,CHLORIDE ION,NON-POLYMER,CL,CL,no,2012-11-20,2012-11-20,REL,,CLO,,CL,1,1,,,,InChI=1S/ClH/h1H/p-1,,,,,,,,,,,,-1,,no,Cl,35.453,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZAE,27480,155650,ZAE,PDB,N-methyl-D-phenylalanine,D-PEPTIDE LINKING,ZAE,ZAE,no,2012-11-20,2012-11-20,REL,,,,ZAE,26,13,,,,"InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DGN,27480,155651,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_28J,27480,155652,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_DTH,27480,155653,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,27485,155730,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CU,27493,155825,CU,PDB,COPPER (II) ION,NON-POLYMER,CU,CU,no,2012-11-20,2012-11-20,REL,,,,CU,1,1,,,,InChI=1S/Cu/q+2,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,27495,155864,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27538,156539,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_HEM,27556,156818,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_XC5,27561,156900,XC5,PDB,2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine,NON-POLYMER,XC5,XC5,no,2017-05-06,2017-05-06,REL,,,,XC5,46,28,,,,"InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/t6-,7+,9+/m0/s1",,,,,,,,,,,,0,,no,C10 H18 N3 O12 P3,465.184,,,,,,,,,,,,,,,,,no,Corina,no,5V1P,RCSB,,,,, chem_comp,chem_comp_ZN,27564,156946,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NIL,27566,156979,NIL,PDB,Nilotinib,NON-POLYMER,NIL,NIL,no,2012-11-20,2012-11-20,REL,,,,NIL,61,39,,,,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",,,,,,,,,,,4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide,0,,yes,C28 H22 F3 N7 O,529.516,,,,,,,,,,,,,,,,,no,Corina,no,3CS9,RCSB,,,,, chem_comp,chem_comp_DBU,27572,157075,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAL,27572,157076,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DHA,27572,157077,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_ABU,27572,157078,ABU,PDB,GAMMA-AMINO-BUTANOIC ACID,NON-POLYMER,ABU,ABU,no,2012-11-20,2012-11-20,REL,,,,ABU,16,7,,,,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",,,,,,,,,,,GAMMA(AMINO)-BUTYRIC ACID,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1QUR,RCSB,,,,, chem_comp,chem_comp_DBB,27572,157079,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_NAG,27572,157080,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,2014-04-02,2014-04-02,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_MUB,27572,157081,MUB,PDB,N-ACETYLMURAMIC ACID,NON-POLYMER,MUB,MUB,,2012-11-20,2012-11-20,REL,,,,MUB,39,20,,,,"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1",,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_FGA,27572,157082,FGA,PDB,GAMMA-D-GLUTAMIC ACID,"D-GAMMA-PEPTIDE, C-DELTA LINKING",FGA,FGA,no,2012-11-20,2012-11-20,REL,,,E,FGA,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,D-GLUTAMIC ACID,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MG,27577,157161,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GDP,27577,157162,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_ZN,27606,157621,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_APR,27612,157713,APR,PDB,ADENOSINE-5-DIPHOSPHORIBOSE,NON-POLYMER,APR,APR,no,2012-11-20,2012-11-20,REL,,,,APR,59,36,,,,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1",,,,,,,,,,,,0,,yes,C15 H23 N5 O14 P2,559.316,,,,,,,,,,,,,,,,,no,,no,1G9Q,RCSB,,,,, chem_comp,chem_comp_OLA,27638,158141,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-11-20,2012-11-20,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_MG,27646,158263,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GDP,27646,158264,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_SEP,27647,158285,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27647,158286,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_ZN,27654,158382,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,27655,158400,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,28096,164295,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_FES,27673,158634,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_CA,27711,159184,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,27712,159203,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,27718,159301,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GDP,27718,159302,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,27719,159320,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GDP,27719,159321,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,27720,159339,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GDP,27720,159340,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GSP,27726,159482,GSP,PDB,5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE,NON-POLYMER,GSP,GSP,no,2012-11-20,2012-11-20,REL,,,,GSP,48,32,,,,"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3 S,539.246,,,,,,,,,,,,,,,,,no,,no,1GIA,EBI,,,,, chem_comp,chem_comp_ABA,27728,159499,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_NLE,27728,159500,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ABA,27730,159534,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_NLE,27730,159535,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_FK5,27733,159575,FK5,PDB,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,NON-POLYMER,FK5,FK5,no,2012-11-20,2012-11-20,REL,,,,FK5,126,57,,,,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",,,,,,,,,,,K506,0,,no,C44 H69 N O12,804.018,,,,,,,,,,,,,,,,,no,,no,1BKF,RCSB,,,,, chem_comp,chem_comp_FK5,27737,159619,FK5,PDB,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,NON-POLYMER,FK5,FK5,no,2012-11-20,2012-11-20,REL,,,,FK5,126,57,,,,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",,,,,,,,,,,K506,0,,no,C44 H69 N O12,804.018,,,,,,,,,,,,,,,,,no,,no,1BKF,RCSB,,,,, chem_comp,chem_comp_FK5,27739,159663,FK5,PDB,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,NON-POLYMER,FK5,FK5,no,2012-11-20,2012-11-20,REL,,,,FK5,126,57,,,,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",,,,,,,,,,,K506,0,,no,C44 H69 N O12,804.018,,,,,,,,,,,,,,,,,no,,no,1BKF,RCSB,,,,, chem_comp,chem_comp_BMT,27752,159822,BMT,PDB,"4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE",L-PEPTIDE LINKING,BMT,BMT,no,2012-11-20,2012-11-20,REL,,,T,BMT,33,14,,,,"InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1",,,,,THR,,,,,,,0,,no,C10 H19 N O3,201.263,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DAL,27752,159823,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAR,27752,159824,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-11-20,2012-11-20,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_MLE,27752,159825,MLE,PDB,N-METHYLLEUCINE,L-PEPTIDE LINKING,MLE,MLE,no,2012-11-20,2012-11-20,REL,,,L,MLE,25,10,,,,"InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MVA,27752,159826,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_NH2,27756,159889,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SEP,27764,159990,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_BMT,27779,160196,BMT,PDB,"4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE",L-PEPTIDE LINKING,BMT,BMT,no,2012-11-20,2012-11-20,REL,,,T,BMT,33,14,,,,"InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1",,,,,THR,,,,,,,0,,no,C10 H19 N O3,201.263,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DAL,27779,160197,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAR,27779,160198,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-11-20,2012-11-20,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_MLE,27779,160199,MLE,PDB,N-METHYLLEUCINE,L-PEPTIDE LINKING,MLE,MLE,no,2012-11-20,2012-11-20,REL,,,L,MLE,25,10,,,,"InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MVA,27779,160200,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_CA,27787,160347,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GTP,27794,160472,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_MG,27794,160473,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_RF9,27797,160532,RF9,PDB,N~6~-[(1R)-1-carboxyethyl]-L-lysine,L-PEPTIDE LINKING,RF9,RF9,no,2019-02-06,2019-02-06,HOLD,,,,RF9,33,15,,,,"InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1",,,,,,,,,,,,0,,no,C9 H18 N2 O4,218.250,,,,,,,,,,,,,,,,,no,Corina,no,6NVA,RCSB,,,,, chem_comp,chem_comp_BMT,27800,160578,BMT,PDB,"4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE",L-PEPTIDE LINKING,BMT,BMT,no,2012-11-20,2012-11-20,REL,,,T,BMT,33,14,,,,"InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1",,,,,THR,,,,,,,0,,no,C10 H19 N O3,201.263,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DAL,27800,160579,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAR,27800,160580,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-11-20,2012-11-20,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_MLE,27800,160581,MLE,PDB,N-METHYLLEUCINE,L-PEPTIDE LINKING,MLE,MLE,no,2012-11-20,2012-11-20,REL,,,L,MLE,25,10,,,,"InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MVA,27800,160582,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_SEP,27812,160757,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27812,160758,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_MG,27825,160917,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_MG,27826,160939,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_Y55,27826,160940,Y55,PDB,"7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione",NON-POLYMER,Y55,Y55,no,2017-08-11,2017-08-11,REL,,,,Y55,27,18,,,,"InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2",,,,,,,,,,,,0,,yes,C13 H9 N O4,243.215,,,,,,,,,,,,,,,,,no,Corina,no,5UV5,RCSB,,,,, chem_comp,chem_comp_TRP,27830,161007,TRP,PDB,TRYPTOPHAN,L-PEPTIDE LINKING,TRP,TRP,no,2012-11-20,2012-11-20,REL,,LTR,W,TRP,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_GLU,27840,161162,GLU,PDB,GLUTAMIC ACID,L-PEPTIDE LINKING,GLU,GLU,no,2012-11-20,2012-11-20,REL,,,E,GLU,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_GLU,27841,161180,GLU,PDB,GLUTAMIC ACID,L-PEPTIDE LINKING,GLU,GLU,no,2012-11-20,2012-11-20,REL,,,E,GLU,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_GLU,27842,161198,GLU,PDB,GLUTAMIC ACID,L-PEPTIDE LINKING,GLU,GLU,no,2012-11-20,2012-11-20,REL,,,E,GLU,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_KAI,27843,161218,KAI,PDB,3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE,NON-POLYMER,KAI,KAI,no,2012-11-20,2012-11-20,REL,,,,KAI,30,15,,,,"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1",,,,,,,,,,,KAINATE,0,,no,C10 H15 N O4,213.230,,,,,,,,,,,,,,,,,no,Corina,no,1GR2,EBI,,,,, chem_comp,chem_comp_C2E,27853,161361,C2E,PDB,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",NON-POLYMER,C2E,C2E,no,2012-11-20,2012-11-20,REL,,,,C2E,70,46,,,,"InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",,,,,,,,,,,"c-di-GMP, Cyclic diguanosine monophosphate",0,,yes,C20 H24 N10 O14 P2,690.411,,,,,,,,,,,,,,,,,no,Corina,no,2RDE,EBI,,,,, chem_comp,chem_comp_CA,27854,161380,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,27865,161536,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAR,28066,164180,SAR,PDB,SARCOSINE,PEPTIDE LINKING,SAR,SAR,no,2012-11-20,2012-11-20,REL,,MGY,G,SAR,13,6,,,,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",,,,,GLY,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_MG,28097,164314,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_HEM,27869,161601,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_ACE,27873,161655,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MED,27873,161656,MED,PDB,D-METHIONINE,D-PEPTIDE LINKING,MED,MED,no,2012-11-20,2012-11-20,REL,,,M,MED,20,9,,,,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2 S,149.211,,,,,,,,,,,,,,,,,no,Corina,no,1KQ0,RCSB,,,,, chem_comp,chem_comp_DLE,27873,161657,DLE,PDB,D-LEUCINE,D-PEPTIDE LINKING,DLE,DLE,no,2012-11-20,2012-11-20,REL,,,L,DLE,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1GMK,RCSB,,,,, chem_comp,chem_comp_DTR,27873,161658,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DCY,27873,161659,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_DSG,27873,161660,DSG,PDB,D-ASPARAGINE,D-PEPTIDE LINKING,DSG,DSG,no,2012-11-20,2012-11-20,REL,,,N,DSG,17,9,,,,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,,, chem_comp,chem_comp_DLY,27873,161661,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_NH2,27873,161662,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_C2E,27876,161730,C2E,PDB,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",NON-POLYMER,C2E,C2E,no,2012-11-20,2012-11-20,REL,,,,C2E,70,46,,,,"InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",,,,,,,,,,,"c-di-GMP, Cyclic diguanosine monophosphate",0,,yes,C20 H24 N10 O14 P2,690.411,,,,,,,,,,,,,,,,,no,Corina,no,2RDE,EBI,,,,, chem_comp,chem_comp_MG,27879,161783,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ADP,27879,161784,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,2012-11-20,2012-11-20,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_ALF,27879,161785,ALF,PDB,TETRAFLUOROALUMINATE ION,NON-POLYMER,ALF,ALF,no,2012-11-20,2012-11-20,REL,,,,ALF,5,5,,,,InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4,,,,,,,,,,,,-1,,no,Al F4,102.975,,,,,,,,,,,,,,,,,no,,yes,1TAD,EBI,,,,, chem_comp,chem_comp_ZN,27880,161802,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,27884,161866,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_J01,27890,161945,J01,PDB,"(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID",NON-POLYMER,J01,J01,,2012-11-20,2012-11-20,REL,,,,J01,23,14,,,,"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1",,,,,,,,,,,CLAVULANIC ACID,0,,no,C8 H9 N O5,199.161,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,EBI,,,,, chem_comp,chem_comp_MG,27920,162219,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_NXL,27929,162352,NXL,PDB,"(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide",NON-POLYMER,NXL,NXL,no,2015-05-26,2015-05-26,REL,,,,NXL,30,17,,,,"InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1",,,,,,,,,,,"avibactam, bound form, NXL104, bound form",0,,no,C7 H13 N3 O6 S,267.260,,,,,,,,,,,,,,,,,no,Corina,no,4DF6,RCSB,,,,, chem_comp,chem_comp_ZN,27932,162405,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_REA,27946,162500,REA,PDB,RETINOIC ACID,NON-POLYMER,REA,REA,no,2016-10-18,2016-10-18,REL,,3KV,,REA,50,22,,,,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",,,,,,,,,,,,0,,no,C20 H28 O2,300.435,,,,,,,,,,,,,,,,,no,Corina,no,1CBS,RCSB,,,,, chem_comp,chem_comp_CSD,27947,162515,CSD,PDB,3-SULFINOALANINE,L-PEPTIDE LINKING,CSD,CSD,no,2014-11-20,2014-11-20,REL,,CSW,C,CSD,16,9,,,,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1",,,,,CYS,,,,,,S-CYSTEINESULFINIC ACID; S-SULFINOCYSTEINE,0,,no,C3 H7 N O4 S,153.157,,,,,,,,,,,,,,,,,no,Corina,no,1EU1,RCSB,,,,, chem_comp,chem_comp_BMT,28066,164177,BMT,PDB,"4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE",L-PEPTIDE LINKING,BMT,BMT,no,2012-11-20,2012-11-20,REL,,,T,BMT,33,14,,,,"InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1",,,,,THR,,,,,,,0,,no,C10 H19 N O3,201.263,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_ATP,27954,162628,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,NON-POLYMER,ATP,ATP,no,2012-11-20,2012-11-20,REL,,,,ATP,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,,, chem_comp,chem_comp_DSN,27960,162729,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_DAL,28066,164181,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,28095,164278,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_NAP,27976,162965,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,2012-11-20,2012-11-20,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_CA,27981,163066,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEM,27987,163155,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2016-01-20,2016-01-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,Corina,no,3IA3,RCSB,,,,, chem_comp,chem_comp_SEP,27995,163286,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TPO,27995,163287,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_FES,28002,163412,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_FES,28003,163429,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_ZN,28011,163479,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GTP,28015,163515,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_MG,28015,163516,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,28019,163567,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,2802,163583,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,2802,163584,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,1999-07-08,2011-12-14,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_PHL,2802,163585,PHL,PDB,L-PHENYLALANINOL,L-PEPTIDE LINKING,PHL,PHL,no,1999-07-08,2011-12-14,REL,,,F,PHL,24,11,,,,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,Corina,no,1JOH,RCSB,,,,, chem_comp,chem_comp_ZN,28020,163600,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,28021,163618,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GTP,28021,163619,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_MG,28022,163637,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_GTP,28022,163638,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GNP,28046,163915,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_GDP,28047,163934,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_CA,28050,163981,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,28052,164016,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GA,28057,164080,GA,PDB,GALLIUM (III) ION,NON-POLYMER,GA,GA,no,2012-11-20,2012-11-20,REL,,,,GA,1,1,,,,InChI=1S/Ga/q+3,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LCM,28057,164081,LCM,PDB,"N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)",NON-POLYMER,LCM,LCM,no,2013-03-30,2013-03-30,REL,,,,LCM,46,26,,,,"InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)",,,,,,,,,,,4-LICAM,0,,yes,C18 H20 N2 O6,360.361,,,,,,,,,,,,,,,,,no,Corina,no,3ZK3,EBI,,,,, chem_comp,chem_comp_MLE,28066,164178,MLE,PDB,N-METHYLLEUCINE,L-PEPTIDE LINKING,MLE,MLE,no,2012-11-20,2012-11-20,REL,,,L,MLE,25,10,,,,"InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MVA,28066,164179,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_MGF,28097,164315,MGF,PDB,TRIFLUOROMAGNESATE,NON-POLYMER,MGF,MGF,no,2012-11-20,2012-11-20,REL,,,,MGF,4,4,,,,InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3,,,,,,,,,,,,-1,,no,F3 Mg,81.300,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_G6P,28097,164316,G6P,PDB,ALPHA-D-GLUCOSE-6-PHOSPHATE,D-SACCHARIDE,G6P,G6P,no,2012-11-20,2012-11-20,REL,,,,G6P,29,16,,,,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H13 O9 P,260.136,,,,,,,,,,,,,,,,,no,,no,2HO7,PDBJ,,,,, chem_comp,chem_comp_ACE,28123,164435,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MHO,28123,164436,MHO,PDB,S-OXYMETHIONINE,L-PEPTIDE LINKING,MHO,MHO,no,2012-11-20,2012-11-20,REL,,,M,MHO,21,10,,,,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1",,,,,MET,,,,,,,0,,no,C5 H11 N O3 S,165.211,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,RCSB,,,,, chem_comp,chem_comp_NH2,28123,164437,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28124,164457,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_4PQ,28124,164458,4PQ,PDB,5-hydroxy-L-tryptophan,L-PEPTIDE LINKING,4PQ,4PQ,no,2017-01-07,2017-01-07,REL,,,,4PQ,28,16,,,,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",,,,,TRP,,,,,,Oxitriptan,0,,yes,C11 H12 N2 O3,220.225,,,,,,,,,,,,,,,,,no,Corina,no,4ZAQ,RCSB,,,,, chem_comp,chem_comp_NH2,28124,164459,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28125,164477,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_KYN,28125,164478,KYN,PDB,(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,L-PEPTIDE LINKING,KYN,KYN,no,2013-05-02,2013-05-02,REL,,,W,KYN,27,15,,,,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",,,,,TRP,,,,,,L-KYNURENINE,0,,yes,C10 H12 N2 O3,208.214,,,,,,,,,,,,,,,,,no,Corina,no,3E2Z,RCSB,,,,, chem_comp,chem_comp_NH2,28125,164479,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28126,164497,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MHO,28126,164498,MHO,PDB,S-OXYMETHIONINE,L-PEPTIDE LINKING,MHO,MHO,no,2012-11-20,2012-11-20,REL,,,M,MHO,21,10,,,,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1",,,,,MET,,,,,,,0,,no,C5 H11 N O3 S,165.211,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,RCSB,,,,, chem_comp,chem_comp_NH2,28126,164499,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28127,164519,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MHO,28127,164520,MHO,PDB,S-OXYMETHIONINE,L-PEPTIDE LINKING,MHO,MHO,no,2012-11-20,2012-11-20,REL,,,M,MHO,21,10,,,,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1",,,,,MET,,,,,,,0,,no,C5 H11 N O3 S,165.211,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,RCSB,,,,, chem_comp,chem_comp_NH2,28127,164521,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28128,164541,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_OMT,28128,164542,OMT,PDB,S-DIOXYMETHIONINE,L-PEPTIDE LINKING,OMT,OMT,no,2012-11-20,2012-11-20,REL,,,M,OMT,22,11,,,,"InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,MET,,,,,,,0,,no,C5 H11 N O4 S,181.210,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,28128,164543,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28129,164561,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NFK,28129,164562,NFK,PDB,N'-Formylkynurenine,NON-POLYMER,NFK,NFK,no,2016-10-21,2016-10-21,REL,,,,NFK,29,17,,,,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1",,,,,,,,,,,(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid,0,,yes,C11 H12 N2 O4,236.224,,,,,,,,,,,,,,,,,no,Corina,no,5TI9,RCSB,,,,, chem_comp,chem_comp_NH2,28129,164563,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,28130,164582,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,28130,164583,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AAC,285,164691,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,285,164692,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,286,164759,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,286,164760,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_THC,289,164813,THC,PDB,N-METHYLCARBONYLTHREONINE,L-PEPTIDE LINKING,THC,THC,no,1999-07-08,2011-12-14,REL,,,T,THC,22,11,,,,"InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1",,,,,THR,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,1A7C,EBI,,,,, chem_comp,chem_comp_NLE,2960,165100,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_AAR,2960,165101,AAR,PDB,ARGININEAMIDE,L-PEPTIDE LINKING,AAR,AAR,no,1999-07-08,2011-12-14,REL,,,R,AAR,28,12,,,,"InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1",,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,,, chem_comp,chem_comp_HEC,2968,165116,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_S_Ppt,3,165182,S_Ppt,BMRB,4'-PHOSPHOPANTETHEINYL-L-SERINE,L-PEPTIDE LINKING,S_Ppt,,no,2012-04-11,2012-04-11,REL,,,,,,,,,,,,,,,,,,,,,,0,,no,C3 H7 O4 N1,121,,,,,,,,,,,,,,,,,,,,,BMRB,,,,, chem_comp,chem_comp_ZN,30002,165255,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30003,165281,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30004,165306,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_66S,30006,165354,66S,PDB,"S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",NON-POLYMER,66S,66S,no,2016-03-04,2016-03-04,REL,,,,66S,68,31,,,,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m0/s1",,,,,,,,,,,,0,,no,C19 H37 N2 O8 P S,484.544,,,,,,,,,,,,,,,,,no,Corina,no,5HV8,EBI,,,,, chem_comp,chem_comp_ZN,30008,165388,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_K,30012,165465,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,K,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_63T,30015,165504,63T,PDB,"[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",NON-POLYMER,63T,63T,no,2016-01-21,2016-01-21,HOLD,,,,63T,22,13,,,,"InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1",,,,,,,,,,,,0,,no,C5 H9 O7 P,212.095,,,,,,,,,,,,,,,,,no,Corina,no,5HQF,EBI,,,,, chem_comp,chem_comp_8OG,30015,165505,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_63T,30016,165523,63T,PDB,"[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",NON-POLYMER,63T,63T,no,2016-01-21,2016-01-21,HOLD,,,,63T,22,13,,,,"InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1",,,,,,,,,,,,0,,no,C5 H9 O7 P,212.095,,,,,,,,,,,,,,,,,no,Corina,no,5HQF,EBI,,,,, chem_comp,chem_comp_8OG,30016,165524,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ZN,30030,165772,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30032,165809,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_80G,30038,165912,80G,PDB,1-(4-thiophen-2-ylphenyl)methanamine,NON-POLYMER,80G,80G,no,2012-11-20,2012-11-20,REL,,,,80G,24,13,,,,"InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2",,,,,,,,,,,,0,,yes,C11 H11 N S,189.277,,,,,,,,,,,,,,,,,no,Corina,no,3FU6,RCSB,,,,, chem_comp,chem_comp_80G,30044,166026,80G,PDB,1-(4-thiophen-2-ylphenyl)methanamine,NON-POLYMER,80G,80G,no,2012-11-20,2012-11-20,REL,,,,80G,24,13,,,,"InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2",,,,,,,,,,,,0,,yes,C11 H11 N S,189.277,,,,,,,,,,,,,,,,,no,Corina,no,3FU6,RCSB,,,,, chem_comp,chem_comp_DPR,30046,166068,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_6FS,30048,166105,6FS,PDB,"N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine",NON-POLYMER,6FS,6FS,no,2016-04-29,2016-04-29,REL,,,,6FS,56,31,,,,"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+",,,,,,,,,,,,0,,yes,C21 H25 N O8 S,451.490,,,,,,,,,,,,,,,,,no,Corina,no,5J2R,RCSB,,,,, chem_comp,chem_comp_DPR,30049,166123,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_6FS,30050,166140,6FS,PDB,"N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine",NON-POLYMER,6FS,6FS,no,2016-04-29,2016-04-29,REL,,,,6FS,56,31,,,,"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+",,,,,,,,,,,,0,,yes,C21 H25 N O8 S,451.490,,,,,,,,,,,,,,,,,no,Corina,no,5J2R,RCSB,,,,, chem_comp,chem_comp_DPR,30051,166158,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_GS,30052,166175,GS,PDB,GUANOSINE-5'-THIO-MONOPHOSPHATE,DNA LINKING,GS,GS,no,2012-11-20,2012-11-20,REL,,,G,GS,37,23,,,,"InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H14 N5 O6 P S,363.287,,,,,,,,,,,,,,,,,no,,no,8PSH,PDBJ,,,,, chem_comp,chem_comp_GS,30054,166215,GS,PDB,GUANOSINE-5'-THIO-MONOPHOSPHATE,DNA LINKING,GS,GS,no,2012-11-20,2012-11-20,REL,,,G,GS,37,23,,,,"InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H14 N5 O6 P S,363.287,,,,,,,,,,,,,,,,,no,,no,8PSH,PDBJ,,,,, chem_comp,chem_comp_ACE,30057,166265,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,34217,183900,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30057,166266,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30059,166298,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30060,166314,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,30062,166352,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TPO,30062,166353,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_CA,30063,166372,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,30064,166404,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PNS,30066,166450,PNS,PDB,4'-PHOSPHOPANTETHEINE,NON-POLYMER,PNS,PNS,no,2012-11-20,2012-11-20,REL,,,,PNS,45,22,,,,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,30071,166544,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30075,166619,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30076,166641,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FME,30106,167249,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_FME,30109,167310,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_ACE,30119,167517,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ACE,30120,167536,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ACE,30123,167577,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,30130,167700,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30131,167719,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30138,167874,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30139,167895,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAR,30140,167921,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,2012-11-20,2012-11-20,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DSG,30140,167922,DSG,PDB,D-ASPARAGINE,D-PEPTIDE LINKING,DSG,DSG,no,2012-11-20,2012-11-20,REL,,,N,DSG,17,9,,,,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,,, chem_comp,chem_comp_DAL,30141,167941,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30141,167942,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30141,167943,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DPR,30142,167962,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DAL,30144,167999,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAR,30144,168000,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,2012-11-20,2012-11-20,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DAS,30144,168001,DAS,PDB,D-ASPARTIC ACID,D-PEPTIDE LINKING,DAS,DAS,no,2012-11-20,2012-11-20,REL,,DSP,D,DAS,16,9,,,,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,,, chem_comp,chem_comp_DCY,30144,168002,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_DGL,30144,168003,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_DLY,30144,168004,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DPR,30144,168005,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,30146,168042,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_5CM,30148,168080,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_5CM,30151,168146,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_DTR,30152,168168,DTR,PDB,D-TRYPTOPHAN,D-PEPTIDE LINKING,DTR,DTR,no,2012-11-20,2012-11-20,REL,,,W,DTR,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_NH2,30152,168169,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,30156,168251,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30167,168460,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30168,168477,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CGU,30176,168542,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,30176,168543,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30177,168562,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MLY,30177,168563,MLY,PDB,N-DIMETHYL-LYSINE,L-PEPTIDE LINKING,MLY,MLY,no,2012-11-20,2012-11-20,REL,,TRG,K,MLY,30,12,,,,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,no,,no,2MYS,RCSB,,,,, chem_comp,chem_comp_NH2,30177,168564,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CGU,30178,168588,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,30178,168589,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CGU,30179,168606,CGU,PDB,GAMMA-CARBOXY-GLUTAMIC ACID,L-PEPTIDE LINKING,CGU,CGU,no,2014-01-10,2014-01-10,REL,,,E,CGU,22,13,,,,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,30179,168607,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30180,168625,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DT,30184,168661,DT,PDB,THYMIDINE-5'-MONOPHOSPHATE,DNA LINKING,DT,DT,no,2012-11-20,2012-11-20,REL,,T,T,DT,36,21,,,,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,no,C10 H15 N2 O8 P,322.208,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,214D,RCSB,,,,, chem_comp,chem_comp_A2M,30184,168662,A2M,PDB,2'-O-methyladenosine 5'-(dihydrogen phosphate),RNA LINKING,A2M,A2M,no,2012-11-20,2012-11-20,REL,,A39,A,A2M,40,24,,,,"InChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1",,,,,A,,,,,,,0,,yes,C11 H16 N5 O7 P,361.248,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DA,30184,168663,DA,PDB,2'-DEOXYADENOSINE-5'-MONOPHOSPHATE,DNA LINKING,DA,DA,no,2012-11-20,2012-11-20,REL,,,A,DA,36,22,,,,"InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",,,,,,,,,,,,0,,yes,C10 H14 N5 O6 P,331.222,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_7BU,30186,168707,7BU,PDB,"[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc",NON-POLYMER,7BU,7BU,no,2016-09-30,2016-09-30,HOLD,,,,7BU,49,41,,,,"InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;",,,,,,,,,,,"[5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II)",0,,yes,C24 H8 F12 N4 Zn,645.737,,,,,,,,,,,,,,,,,no,Corina,no,5TGY,RCSB,,,,, chem_comp,chem_comp_1YO,30189,168746,1YO,PDB,"3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine",NON-POLYMER,1YO,1YO,no,2014-11-07,2014-11-07,REL,,,,1YO,27,15,,,,"InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3",,,,,,,,,,,,0,,yes,C10 H12 N4 S,220.294,,,,,,,,,,,,,,,,,no,Corina,no,2MBU,RCSB,,,,, chem_comp,chem_comp_NH2,30190,168764,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_5CM,30191,168788,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_SEP,30197,168896,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_5CM,30198,168918,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_80G,30198,168919,80G,PDB,1-(4-thiophen-2-ylphenyl)methanamine,NON-POLYMER,80G,80G,no,2012-11-20,2012-11-20,REL,,,,80G,24,13,,,,"InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2",,,,,,,,,,,,0,,yes,C11 H11 N S,189.277,,,,,,,,,,,,,,,,,no,Corina,no,3FU6,RCSB,,,,, chem_comp,ALA_SUC,302,168962,ALA_SUC,,succinyl-L-alanine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,302,168963,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30202,169017,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_UN1,30202,169018,UN1,PDB,2-AMINOHEXANEDIOIC ACID,L-PEPTIDE LINKING,UN1,UN1,no,2012-11-20,2012-11-20,REL,,,X,UN1,22,11,,,,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",,,,,,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,1H0G,RCSB,,,,, chem_comp,chem_comp_NH2,30203,169035,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_UN1,30203,169036,UN1,PDB,2-AMINOHEXANEDIOIC ACID,L-PEPTIDE LINKING,UN1,UN1,no,2012-11-20,2012-11-20,REL,,,X,UN1,22,11,,,,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",,,,,,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,1H0G,RCSB,,,,, chem_comp,chem_comp_ALY,30206,169095,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_ZN,30207,169121,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30208,169144,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30210,169185,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30211,169207,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30212,169227,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30213,169247,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30214,169267,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30215,169287,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30216,169307,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30217,169327,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30218,169347,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30219,169368,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HYP,30225,169500,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_HYP,30226,169525,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,30227,169552,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FES,30231,169602,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_B3K,30244,169837,B3K,PDB,"(3S)-3,7-DIAMINOHEPTANOIC ACID",L-PEPTIDE LINKING,B3K,B3K,no,2012-11-20,2012-11-20,REL,,,K,B3K,27,11,,,,"InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1",,,,,LYS,,,,,,,0,,no,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_B3Q,30244,169838,B3Q,PDB,"(3S)-3,6-diamino-6-oxohexanoic acid",L-PEPTIDE LINKING,B3Q,B3Q,no,2012-11-20,2012-11-20,REL,,,X,B3Q,23,11,,,,"InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",,,,,,,,,,,(S)-beta-3-homoglutamine,0,,no,C6 H12 N2 O3,160.171,,,,,,,,,,,,,,,,,no,Corina,no,3C3G,RCSB,,,,, chem_comp,chem_comp_MAA,30244,169839,MAA,PDB,N-methyl-L-alanine,L-PEPTIDE LINKING,MAA,MAA,no,2012-11-20,2012-11-20,REL,,,A,MAA,16,7,,,,"InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1A7Z,RCSB,,,,, chem_comp,chem_comp_MMO,30244,169840,MMO,PDB,N~2~-methyl-L-arginine,L-PEPTIDE LINKING,MMO,MMO,no,2012-11-20,2012-11-20,REL,,,R,MMO,29,13,,,,"InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,Corina,no,1EB1,EBI,,,,, chem_comp,chem_comp_NH2,30244,169841,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30244,169842,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30244,169843,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_B3D,30244,169844,B3D,PDB,3-AMINOPENTANEDIOIC ACID,PEPTIDE-LIKE,B3D,B3D,no,2012-11-20,2012-11-20,REL,,,D,B3D,19,10,,,,"InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)",,,,,ASP,,,,,,BETA-HOMOASPARTATE,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DHI,30358,171946,DHI,PDB,D-HISTIDINE,D-PEPTIDE LINKING,DHI,DHI,no,2012-11-20,2012-11-20,REL,,,H,DHI,21,11,,,,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1",,,,,,,,,,,,1,,yes,C6 H10 N3 O2,156.162,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_5CM,30250,169967,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_8OG,30250,169968,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_5CM,30251,169989,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_8OG,30251,169990,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_5CM,30252,170011,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_8OG,30252,170012,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_MA7,30255,170080,MA7,PDB,1N-METHYLADENOSINE-5'-MONOPHOSPHATE,DNA LINKING,MA7,MA7,no,2012-11-20,2012-11-20,REL,,,A,MA7,40,23,,,,"InChI=1S/C11H16N5O6P/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,12,17H,2-3H2,1H3,(H2,18,19,20)/p+1/t6-,7+,8+/m0/s1",,,,,DA,,,,,,,1,,yes,C11 H17 N5 O6 P,346.256,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30258,170142,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30263,170238,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZBR,30267,170278,ZBR,PDB,"1,3,5-tris(bromomethyl)benzene",NON-POLYMER,ZBR,ZBR,no,2012-11-20,2012-11-20,REL,,,,ZBR,21,12,,,,"InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2",,,,,,,,,,,,0,,yes,C9 H9 Br3,356.880,,,,,,,,,,,,,,,,,no,Corina,no,3QN7,PDBJ,,,,, chem_comp,chem_comp_ZN,30276,170416,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_4N1,30285,170523,4N1,PDB,"4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium",NON-POLYMER,4N1,4N1,no,2016-04-02,2016-04-02,HOLD,,,,4N1,42,23,,,,"InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1",,,,,,,,,,,,1,,yes,C16 H19 N4 O2 S,331.413,,,,,,,,,,,,,,,,,no,Corina,no,2NB3,RCSB,,,,, chem_comp,chem_comp_HYP,30291,170651,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,30291,170652,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,30305,170884,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,30305,170885,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30305,170886,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SEP,30305,170887,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_AZH,30307,170929,AZH,PDB,AZIDOHOMOALANINE,L-PEPTIDE LINKING,AZH,AZH,no,2012-11-20,2012-11-20,REL,,,,AZH,19,10,,,,"InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1",,,,,ALA,,,,,,,1,,no,C4 H9 N4 O2,145.140,,,,,,,,,,,,,,,,,no,Corina,no,2XO2,EBI,,,,, chem_comp,chem_comp_9XG,30308,170950,9XG,PDB,3-methyl-N-phenylaniline,NON-POLYMER,9XG,9XG,no,2017-06-22,2017-06-22,HOLD,,,,9XG,27,14,,,,"InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3",,,,,,,,,,,,0,,yes,C13 H13 N,183.249,,,,,,,,,,,,,,,,,no,Corina,no,5W88,RCSB,,,,, chem_comp,chem_comp_NH2,30318,171155,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_B74,30319,171174,B74,PDB,(3-methylphenyl)methanol,NON-POLYMER,B74,B74,no,2017-08-03,2017-08-03,HOLD,,,,B74,19,9,,,,"InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3",,,,,,,,,,,,0,,yes,C8 H10 O,122.164,,,,,,,,,,,,,,,,,no,Corina,no,5WOC,RCSB,,,,, chem_comp,chem_comp_5CM,30328,171348,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_8OG,30328,171349,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_DCZ,30328,171350,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_5CM,30329,171371,5CM,PDB,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5CM,5CM,no,2012-11-20,2012-11-20,REL,,,C,5CM,37,21,,,,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,,0,,no,C10 H16 N3 O7 P,321.224,,,,,,,,,,,,,,,,,no,,no,1BSU,RCSB,,,,, chem_comp,chem_comp_8OG,30329,171372,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_DCZ,30329,171373,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_H00,30333,171456,H00,PDB,4-sulfanylbutanoic acid,NON-POLYMER,H00,H00,no,2017-08-15,2017-08-15,HOLD,,,,H00,15,7,,,,"InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)",,,,,,,,,,,,0,,no,C4 H8 O2 S,120.170,,,,,,,,,,,,,,,,,yes,Corina,no,6ANF,RCSB,,,,, chem_comp,chem_comp_NH2,30333,171457,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_B0I,30333,171458,B0I,PDB,"3,3'-dimethyl-1,1'-biphenyl",NON-POLYMER,B0I,B0I,no,2017-08-15,2017-08-15,HOLD,,,,B0I,28,14,,,,"InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3",,,,,,,,,,,,0,,yes,C14 H14,182.261,,,,,,,,,,,,,,,,,no,Corina,no,6ANF,RCSB,,,,, chem_comp,chem_comp_DAL,30333,171459,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BVV,30336,171512,BVV,PDB,"amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium",NON-POLYMER,BVV,BVV,no,2017-08-28,2017-08-28,HOLD,,,,BVV,50,29,,,,"InChI=1S/C21H19N7O/c22-18(23)13-3-1-12(2-4-13)11-29-17-10-9-16-21(27-17)28-20(26-16)15-7-5-14(6-8-15)19(24)25/h1-10H,11H2,(H3,22,23)(H3,24,25)(H,26,27,28)/p+2",,,,,,,,,,,,2,,yes,C21 H21 N7 O,387.438,,,,,,,,,,,,,,,,,no,Corina,no,6AST,RCSB,,,,, chem_comp,chem_comp_NH2,30342,171622,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_BE2,30346,171701,BE2,PDB,2-AMINOBENZOIC ACID,L-PEPTIDE LINKING,BE2,BE2,no,2012-11-20,2012-11-20,REL,,6AB,X,BE2,17,10,,,,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",,,,,,,,,,,,0,,yes,C7 H7 N O2,137.136,,,,,,,,,,,,,,,,,no,,no,1AN9,EBI,,,,, chem_comp,chem_comp_DPN,30346,171702,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ORN,30346,171703,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_BE2,30347,171719,BE2,PDB,2-AMINOBENZOIC ACID,L-PEPTIDE LINKING,BE2,BE2,no,2012-11-20,2012-11-20,REL,,6AB,X,BE2,17,10,,,,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",,,,,,,,,,,,0,,yes,C7 H7 N O2,137.136,,,,,,,,,,,,,,,,,no,,no,1AN9,EBI,,,,, chem_comp,chem_comp_DPN,30347,171720,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ORN,30347,171721,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DGN,30355,171886,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_DPR,30355,171887,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DAR,30355,171888,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,2012-11-20,2012-11-20,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DPR,30356,171905,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DSG,30356,171906,DSG,PDB,D-ASPARAGINE,D-PEPTIDE LINKING,DSG,DSG,no,2012-11-20,2012-11-20,REL,,,N,DSG,17,9,,,,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,,, chem_comp,chem_comp_DLY,30356,171907,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DAR,30357,171924,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,2012-11-20,2012-11-20,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DPR,30357,171925,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DGL,30357,171926,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_DGN,30357,171927,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_DPR,30358,171944,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DGN,30358,171945,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_ZN,36062,190294,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DLE,30359,171963,DLE,PDB,D-LEUCINE,D-PEPTIDE LINKING,DLE,DLE,no,2012-11-20,2012-11-20,REL,,,L,DLE,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1GMK,RCSB,,,,, chem_comp,chem_comp_DPR,30359,171964,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DTH,30359,171965,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DVA,30359,171966,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_DVA,30360,171996,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_DAL,30360,171997,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30360,171998,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DGL,30360,171999,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_DHI,30360,172000,DHI,PDB,D-HISTIDINE,D-PEPTIDE LINKING,DHI,DHI,no,2012-11-20,2012-11-20,REL,,,H,DHI,21,11,,,,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1",,,,,,,,,,,,1,,yes,C6 H10 N3 O2,156.162,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DSN,30361,172018,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_DTY,30361,172019,DTY,PDB,D-TYROSINE,D-PEPTIDE LINKING,DTY,DTY,no,2012-11-20,2012-11-20,REL,,,Y,DTY,24,13,,,,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O3,181.189,,,,,,,,,,,,,,,,,yes,,no,1UNO,RCSB,,,,, chem_comp,chem_comp_DAL,30361,172020,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DCY,30361,172021,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_DLY,30361,172022,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DPR,30361,172023,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DGL,30362,172041,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_DLY,30362,172042,DLY,PDB,D-LYSINE,D-PEPTIDE LINKING,DLY,DLY,no,2012-11-20,2012-11-20,REL,,,K,DLY,24,10,,,,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H14 N2 O2,146.188,,,,,,,,,,,,,,,,,no,,no,1C4B,RCSB,,,,, chem_comp,chem_comp_DPR,30362,172043,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DVA,30362,172044,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_DSG,30363,172062,DSG,PDB,D-ASPARAGINE,D-PEPTIDE LINKING,DSG,DSG,no,2012-11-20,2012-11-20,REL,,,N,DSG,17,9,,,,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,,, chem_comp,chem_comp_DCY,30363,172063,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_DPR,30363,172064,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DVA,30363,172065,DVA,PDB,D-VALINE,D-PEPTIDE LINKING,DVA,DVA,no,2012-11-20,2012-11-20,REL,,,V,DVA,19,8,,,,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,EBI,,,,, chem_comp,chem_comp_DHI,30364,172083,DHI,PDB,D-HISTIDINE,D-PEPTIDE LINKING,DHI,DHI,no,2012-11-20,2012-11-20,REL,,,H,DHI,21,11,,,,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1",,,,,,,,,,,,1,,yes,C6 H10 N3 O2,156.162,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_DAS,30364,172084,DAS,PDB,D-ASPARTIC ACID,D-PEPTIDE LINKING,DAS,DAS,no,2012-11-20,2012-11-20,REL,,DSP,D,DAS,16,9,,,,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,,, chem_comp,chem_comp_DSN,30364,172085,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_DGL,30364,172086,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_DGN,30364,172087,DGN,PDB,D-GLUTAMINE,D-PEPTIDE LINKING,DGN,DGN,no,2012-11-20,2012-11-20,REL,,,Q,DGN,20,10,,,,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,,, chem_comp,chem_comp_DPR,30365,172105,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,36072,190416,ZN,PDB,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,no,,,,,,,,,,,,,,Zn 2,65.409,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DTH,30365,172106,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAS,30365,172107,DAS,PDB,D-ASPARTIC ACID,D-PEPTIDE LINKING,DAS,DAS,no,2012-11-20,2012-11-20,REL,,DSP,D,DAS,16,9,,,,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,,, chem_comp,chem_comp_DPR,30366,172124,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DTH,30366,172125,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAS,30366,172126,DAS,PDB,D-ASPARTIC ACID,D-PEPTIDE LINKING,DAS,DAS,no,2012-11-20,2012-11-20,REL,,DSP,D,DAS,16,9,,,,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,,, chem_comp,chem_comp_NH2,30376,172306,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30377,172325,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DPN,30380,172384,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_E9M,30381,172403,E9M,PDB,N-methyl-L-tryptophan,L-PEPTIDE LINKING,E9M,E9M,no,2017-12-14,2017-12-14,HOLD,,,,E9M,30,16,,,,"InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1",,,,,TRP,,,,,,,0,,yes,C12 H14 N2 O2,218.252,,,,,,,,,,,,,,,,,no,Corina,no,6BVW,RCSB,,,,, chem_comp,chem_comp_MMO,30381,172404,MMO,PDB,N~2~-methyl-L-arginine,L-PEPTIDE LINKING,MMO,MMO,no,2012-11-20,2012-11-20,REL,,,R,MMO,29,13,,,,"InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,Corina,no,1EB1,EBI,,,,, chem_comp,chem_comp_DPN,30381,172405,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_MMO,30382,172423,MMO,PDB,N~2~-methyl-L-arginine,L-PEPTIDE LINKING,MMO,MMO,no,2012-11-20,2012-11-20,REL,,,R,MMO,29,13,,,,"InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,Corina,no,1EB1,EBI,,,,, chem_comp,chem_comp_DPN,30382,172424,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_E9V,30383,172442,E9V,PDB,N-methyl-L-histidine,L-PEPTIDE LINKING,E9V,E9V,no,2017-12-15,2017-12-15,HOLD,,,,E9V,23,12,,,,"InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",,,,,HIS,,,,,,,0,,yes,C7 H11 N3 O2,169.181,,,,,,,,,,,,,,,,,no,Corina,no,6BVY,RCSB,,,,, chem_comp,chem_comp_MMO,30383,172443,MMO,PDB,N~2~-methyl-L-arginine,L-PEPTIDE LINKING,MMO,MMO,no,2012-11-20,2012-11-20,REL,,,R,MMO,29,13,,,,"InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,Corina,no,1EB1,EBI,,,,, chem_comp,chem_comp_DPN,30383,172444,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_CA,30388,172504,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30396,172624,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCW,30400,172711,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30400,172712,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GNP,30400,172713,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_EWS,30400,172715,EWS,PDB,"5-bromo-N-{(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-yl}-1H-indole-3-carboxamide",NON-POLYMER,EWS,EWS,no,2018-03-03,2018-03-03,HOLD,,,,EWS,48,27,,,,"InChI=1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/t16-,17+/m1/s1",,,,,,,,,,,,0,,yes,C21 H21 Br Cl N3 O,446.768,,,,,,,,,,,,,,,,,no,Corina,no,6CCX,RCSB,,,,, chem_comp,chem_comp_PCW,30401,172737,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_NH2,30449,173635,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30451,173671,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_17F,30401,172738,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GNP,30401,172739,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,30401,172740,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_EWV,30402,172762,EWV,PDB,Epiberberine,NON-POLYMER,EWV,EWV,no,2018-06-16,2018-06-16,REL,,,,EWV,43,25,,,,"InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",,,,,,,,,,,"8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium",1,,yes,C20 H18 N O4,336.361,,,,,,,,,,,,,,,,,no,Corina,no,6CCW,RCSB,,,,, chem_comp,chem_comp_PCW,30403,172787,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30403,172788,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GNP,30403,172789,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,30403,172790,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_EWS,30403,172791,EWS,PDB,"5-bromo-N-{(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-yl}-1H-indole-3-carboxamide",NON-POLYMER,EWS,EWS,no,2018-03-03,2018-03-03,HOLD,,,,EWS,48,27,,,,"InChI=1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/t16-,17+/m1/s1",,,,,,,,,,,,0,,yes,C21 H21 Br Cl N3 O,446.768,,,,,,,,,,,,,,,,,no,Corina,no,6CCX,RCSB,,,,, chem_comp,chem_comp_HYP,30405,172830,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NLE,30411,172955,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NLE,30413,172990,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_DAB,30414,173008,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_NH2,30424,173183,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,30424,173184,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_PX4,30425,173208,PX4,PDB,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PX4,PX4,no,2012-11-20,2012-11-20,REL,,,,PX4,119,46,,,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,,, chem_comp,chem_comp_NA,30425,173209,NA,PDB,SODIUM ION,NON-POLYMER,NA,NA,no,2012-11-20,2012-11-20,REL,,,,NA,1,1,,,,InChI=1S/Na/q+1,,,,,,,,,,,,1,,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CL,30425,173210,CL,PDB,CHLORIDE ION,NON-POLYMER,CL,CL,no,2012-11-20,2012-11-20,REL,,CLO,,CL,1,1,,,,InChI=1S/ClH/h1H/p-1,,,,,,,,,,,,-1,,no,Cl,35.453,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_PX4,30426,173232,PX4,PDB,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PX4,PX4,no,2012-11-20,2012-11-20,REL,,,,PX4,119,46,,,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,,, chem_comp,chem_comp_NA,30426,173233,NA,PDB,SODIUM ION,NON-POLYMER,NA,NA,no,2012-11-20,2012-11-20,REL,,,,NA,1,1,,,,InChI=1S/Na/q+1,,,,,,,,,,,,1,,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPN,30431,173316,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30443,173527,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30446,173589,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30447,173604,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30448,173619,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4J5,30452,173694,4J5,PDB,amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium,L-PEPTIDE LINKING,4J5,4J5,no,2015-10-09,2015-10-09,HOLD,,,,4J5,24,11,,,,"InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1",,,,,ARG,,,,,,,1,,no,C5 H13 N4 O2,161.182,,,,,,,,,,,,,,,,,no,Corina,no,2N7W,RCSB,,,,, chem_comp,chem_comp_DAB,30452,173695,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_DPR,30452,173696,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_ACE,30453,173719,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DAL,30453,173720,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NVA,30453,173721,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,NVA,NVA,no,2012-11-20,2012-11-20,REL,,2PI,V,NVA,19,8,,,,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,,, chem_comp,chem_comp_NH2,30453,173722,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_2VN,30478,174176,2VN,PDB,2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid,NON-POLYMER,2VN,2VN,no,2014-02-27,2014-02-27,HOLD,,,,2VN,81,35,,,,"InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)",,,,,,,,,,,,0,,yes,C29 H46 N2 O3 S,502.752,,,,,,,,,,,,,,,,,no,Corina,no,2ML0,RCSB,,,,, chem_comp,chem_comp_NH2,30479,174197,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30482,174255,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30483,174277,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DPR,30486,174345,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,30487,174362,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,30488,174379,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,30489,174396,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_DPR,30490,174413,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30491,174431,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30496,174548,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30496,174549,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AIB,30496,174550,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_ORN,30497,174566,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30497,174567,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30497,174568,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_B3E,30498,174584,B3E,PDB,(3S)-3-AMINOHEXANEDIOIC ACID,L-PEPTIDE LINKING,B3E,B3E,no,2012-11-20,2012-11-20,REL,,,E,B3E,22,11,,,,"InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",,,,,GLU,,,,,,,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_B3K,30498,174585,B3K,PDB,"(3S)-3,7-DIAMINOHEPTANOIC ACID",L-PEPTIDE LINKING,B3K,B3K,no,2012-11-20,2012-11-20,REL,,,K,B3K,27,11,,,,"InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1",,,,,LYS,,,,,,,0,,no,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_MVA,30498,174586,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_AIB,30498,174587,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_DPR,30498,174588,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30498,174589,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DPR,30499,174605,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30499,174606,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AIB,30499,174607,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_MVA,30499,174608,MVA,PDB,N-METHYLVALINE,L-PEPTIDE LINKING,MVA,MVA,no,2012-11-20,2012-11-20,REL,,,V,MVA,22,9,,,,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",,,,,VAL,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30501,174648,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30502,174671,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ALY,30502,174672,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_RY,30511,174848,RY,PDB,"5'-3,6-dihydrocytidylic acid",RNA LINKING,RY,RY,no,2018-09-07,2018-09-07,HOLD,,,,RY,37,21,,,,"InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C9 H16 N3 O8 P,325.212,,,,,,,,,,,,,,,,,no,Corina,no,6MCF,RCSB,,,,, chem_comp,chem_comp_RY,30512,174871,RY,PDB,"5'-3,6-dihydrocytidylic acid",RNA LINKING,RY,RY,no,2018-09-07,2018-09-07,HOLD,,,,RY,37,21,,,,"InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C9 H16 N3 O8 P,325.212,,,,,,,,,,,,,,,,,no,Corina,no,6MCF,RCSB,,,,, chem_comp,chem_comp_YT3,30515,174929,YT3,PDB,YTTRIUM (III) ION,NON-POLYMER,YT3,YT3,no,2012-11-20,2012-11-20,REL,,,,YT3,1,1,,,,InChI=1S/Y/q+3,,,,,,,,,,,,3,,no,Y,88.906,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,30516,174949,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30518,175002,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,30519,175022,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,30519,175023,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30524,175123,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,30529,175207,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_WW7,30529,175208,WW7,PDB,N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE,NON-POLYMER,WW7,WW7,no,2012-11-20,2012-11-20,REL,,,,WW7,43,22,,,,"InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2",,,,,,,,,,,,0,,yes,C16 H21 Cl N2 O2 S,340.868,,,,,,,,,,,,,,,,,no,,no,1MUX,RCSB,,,,, chem_comp,chem_comp_PCA,30534,175314,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30534,175315,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,30535,175334,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30535,175335,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,30536,175354,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30536,175355,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30543,175416,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30544,175445,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACD,30550,175545,ACD,PDB,ARACHIDONIC ACID,NON-POLYMER,ACD,ACD,no,2012-11-20,2012-11-20,REL,,,,ACD,54,22,,,,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",,,,,,,,,,,,0,,no,C20 H32 O2,304.467,,,,,,,,,,,,,,,,,no,,no,1ADL,EBI,,,,, chem_comp,chem_comp_NH2,30557,175694,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30558,175711,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30571,175942,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BO6,30577,176066,BO6,PDB,"3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole",NON-POLYMER,BO6,BO6,no,2019-02-25,2019-02-25,HOLD,,,,BO6,56,31,,,,"InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1",,,,,,,,,,,,2,,yes,C28 H25 N3,403.518,,,,,,,,,,,,,,,,,no,Corina,no,6JJ0,PDBJ,,,,, chem_comp,chem_comp_ZN,30585,176177,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,30585,176178,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ALY,30585,176179,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_NH2,30585,176180,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ORN,30594,176320,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DAB,30595,176337,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,2012-11-20,2012-11-20,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_2PO,30596,176355,2PO,PDB,PHOSPHONATE,NON-POLYMER,2PO,2PO,no,2012-11-20,2012-11-20,REL,,,,2PO,5,4,,,,"InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2",,,,,,,,,,,,-2,,no,H O3 P,79.980,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_DPP,30601,176466,DPP,PDB,DIAMINOPROPANOIC ACID,L-PEPTIDE LINKING,DPP,DPP,no,2012-11-20,2012-11-20,REL,,,A,DPP,15,7,,,,"InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1",,,,,ALA,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,no,Corina,no,1B5H,RCSB,,,,, chem_comp,chem_comp_N8J,30610,176655,N8J,PDB,"(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide",NON-POLYMER,N8J,N8J,no,2019-05-08,2019-05-08,HOLD,,,,N8J,62,36,,,,"InChI=1S/C27H26Cl2N2O4S/c28-21-10-11-22(23(29)14-21)26-16-31(15-18-7-4-8-18)24-13-20(9-12-25(24)35-26)27(32)30-36(33,34)17-19-5-2-1-3-6-19/h1-3,5-6,9-14,18,26H,4,7-8,15-17H2,(H,30,32)/t26-/m1/s1",,,,,,,,,,,,0,,yes,C27 H26 Cl2 N2 O4 S,545.477,,,,,,,,,,,,,,,,,no,Corina,no,6OVC,RCSB,,,,, chem_comp,chem_comp_NH2,30615,176726,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30616,176758,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30617,176789,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30618,176808,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30623,176904,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,30630,177022,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_IAS,30630,177023,IAS,PDB,BETA-L-ASPARTIC ACID,"L-BETA-PEPTIDE, C-GAMMA LINKING",IAS,IAS,no,2012-11-20,2012-11-20,REL,,,D,IAS,16,9,,,,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",,,,,,,,,,,L-aspartic acid,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,Corina,no,1DY5,RCSB,,,,, chem_comp,chem_comp_DBB,30631,177041,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_PCW,30639,177208,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30639,177209,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GNP,30639,177210,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,30639,177211,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,30639,177212,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCW,30640,177246,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30640,177247,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GNP,30640,177248,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_MG,30640,177249,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,30640,177250,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DPR,30641,177278,DPR,PDB,D-PROLINE,D-PEPTIDE LINKING,DPR,DPR,no,2012-11-20,2012-11-20,REL,,,P,DPR,17,8,,,,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,Corina,no,,EBI,,,,, chem_comp,chem_comp_NH2,30641,177279,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30641,177280,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30641,177281,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AIB,30642,177299,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_NH2,30642,177300,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30642,177301,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30642,177302,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30643,177320,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30643,177321,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ORN,30643,177322,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,2012-11-20,2012-11-20,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30643,177323,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_9KK,30644,177341,9KK,PDB,N-methyl norleucine,L-PEPTIDE LINKING,9KK,9KK,no,2017-09-16,2017-09-16,REL,,,,9KK,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,5O45,EBI,,,,, chem_comp,chem_comp_AIB,30644,177342,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_B3D,30644,177343,B3D,PDB,3-AMINOPENTANEDIOIC ACID,PEPTIDE-LIKE,B3D,B3D,no,2012-11-20,2012-11-20,REL,,,D,B3D,19,10,,,,"InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)",,,,,ASP,,,,,,BETA-HOMOASPARTATE,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_B3T,30644,177344,B3T,PDB,"3-amino-2,3,5-trideoxy-D-threo-pentonic acid",L-PEPTIDE LINKING,B3T,B3T,no,2012-11-20,2012-11-20,REL,,,X,B3T,20,9,,,,"InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O3,133.146,,,,,,,,,,,,,,,,,no,Corina,no,3F4Z,RCSB,,,,, chem_comp,chem_comp_HMR,30644,177345,HMR,PDB,BETA-HOMOARGININE,L-PEPTIDE LINKING,HMR,HMR,no,2012-11-20,2012-11-20,REL,,,R,HMR,29,13,,,,"InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,,no,1ABI,RCSB,,,,, chem_comp,chem_comp_MMO,30644,177346,MMO,PDB,N~2~-methyl-L-arginine,L-PEPTIDE LINKING,MMO,MMO,no,2012-11-20,2012-11-20,REL,,,R,MMO,29,13,,,,"InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1",,,,,ARG,,,,,,,0,,no,C7 H16 N4 O2,188.228,,,,,,,,,,,,,,,,,no,Corina,no,1EB1,EBI,,,,, chem_comp,chem_comp_NH2,30644,177347,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,30644,177348,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_WMH,30654,177515,WMH,PDB,"1-methyl-1H-1,2,3-triazole",NON-POLYMER,WMH,WMH,no,2020-01-26,2020-01-26,HOLD,,,,WMH,11,6,,,,"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",,,,,,,,,,,,0,,yes,C3 H5 N3,83.092,,,,,,,,,,,,,,,,,no,Corina,no,6Q1U,RCSB,,,,, chem_comp,chem_comp_ZN,30658,177611,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,30659,177634,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_WMH,30669,177840,WMH,PDB,"1-methyl-1H-1,2,3-triazole",NON-POLYMER,WMH,WMH,no,2020-01-26,2020-01-26,HOLD,,,,WMH,11,6,,,,"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",,,,,,,,,,,,0,,yes,C3 H5 N3,83.092,,,,,,,,,,,,,,,,,no,Corina,no,6Q1U,RCSB,,,,, chem_comp,chem_comp_WMH,30670,177860,WMH,PDB,"1-methyl-1H-1,2,3-triazole",NON-POLYMER,WMH,WMH,no,2020-01-26,2020-01-26,HOLD,,,,WMH,11,6,,,,"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",,,,,,,,,,,,0,,yes,C3 H5 N3,83.092,,,,,,,,,,,,,,,,,no,Corina,no,6Q1U,RCSB,,,,, chem_comp,chem_comp_WMH,30671,177880,WMH,PDB,"1-methyl-1H-1,2,3-triazole",NON-POLYMER,WMH,WMH,no,2020-01-26,2020-01-26,HOLD,,,,WMH,11,6,,,,"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",,,,,,,,,,,,0,,yes,C3 H5 N3,83.092,,,,,,,,,,,,,,,,,no,Corina,no,6Q1U,RCSB,,,,, chem_comp,chem_comp_NH2,30673,177920,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30673,177921,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_NVA,30673,177922,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,NVA,NVA,no,2012-11-20,2012-11-20,REL,,2PI,V,NVA,19,8,,,,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,,, chem_comp,chem_comp_ZN,30673,177923,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30674,177941,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLE,30674,177942,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,30674,177943,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AAC,316,179588,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_3D1,30688,178104,3D1,PDB,"(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol",NON-POLYMER,3D1,3D1,no,2012-11-20,2012-11-20,REL,,,,3D1,31,18,,,,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",,,,,,,,,,,2'-DEOXYADENOSINE,0,,yes,C10 H13 N5 O3,251.242,,,,,,,,,,,,,,,,,no,Corina,no,1S2G,RCSB,,,,, chem_comp,chem_comp_DGP,30688,178105,DGP,PDB,2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,NON-POLYMER,DGP,DGP,no,2019-03-02,2019-03-02,REL,,DCG,,DGP,37,23,,,,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DPP,30690,178125,DPP,PDB,DIAMINOPROPANOIC ACID,L-PEPTIDE LINKING,DPP,DPP,no,2012-11-20,2012-11-20,REL,,,A,DPP,15,7,,,,"InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1",,,,,ALA,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,no,Corina,no,1B5H,RCSB,,,,, chem_comp,chem_comp_GDP,30694,178185,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,30694,178186,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_QPD,30694,178187,QPD,PDB,(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide,NON-POLYMER,QPD,QPD,no,2019-12-06,2019-12-06,HOLD,,,,QPD,39,23,,,,"InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/t15-/m1/s1",,,,,,,,,,,,0,,yes,C17 H16 N4 O2,308.335,,,,,,,,,,,,,,,,,no,Corina,no,6V5L,RCSB,,,,, chem_comp,chem_comp_QSV,30698,178273,QSV,PDB,"(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)",NON-POLYMER,QSV,QSV,no,2019-12-18,2019-12-18,HOLD,,,,QSV,53,29,,,,"InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+",,,,,,,,,,,,0,,yes,C20 H24 N8 S,408.523,,,,,,,,,,,,,,,,,no,Corina,no,6VA2,RCSB,,,,, chem_comp,chem_comp_MQC,30699,178298,MQC,PDB,4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide,NON-POLYMER,MQC,MQC,no,2019-12-17,2019-12-17,HOLD,,,,MQC,41,23,,,,"InChI=1S/C18H18N4O/c1-11-8-17(22-13-4-3-5-14(10-13)23-2)15-9-12(18(19)20)6-7-16(15)21-11/h3-10H,1-2H3,(H3,19,20)(H,21,22)",,,,,,,,,,,,0,,yes,C18 H18 N4 O,306.362,,,,,,,,,,,,,,,,,no,Corina,no,6VA3,RCSB,,,,, chem_comp,chem_comp_QSY,30700,178335,QSY,PDB,"N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium",NON-POLYMER,QSY,QSY,no,2020-01-08,2020-01-08,HOLD,,,,QSY,56,27,,,,"InChI=1S/C21H28N4O2/c1-24(15-7-4-3-5-8-15)11-6-12-25-14-22-19-17-13-16(27-2)9-10-18(17)23-20(19)21(25)26/h9-10,13-15,23H,3-8,11-12H2,1-2H3/p+1",,,,,,,,,,,,1,,yes,C21 H29 N4 O2,369.481,,,,,,,,,,,,,,,,,no,Corina,no,6VA4,RCSB,,,,, chem_comp,chem_comp_ABA,30702,178356,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_DAL,30702,178357,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBU,30702,178358,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_ZN,30705,178422,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ABA,30710,178500,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_DAL,30710,178501,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBU,30710,178502,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DHA,30710,178503,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_DBB,30712,178542,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DAL,30713,178563,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,30713,178564,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DBU,30713,178565,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAL,30714,178586,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,30714,178587,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DAL,30718,178609,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_8NK,30723,178684,8NK,PDB,7-methylguanosine 5'-diphosphate,NON-POLYMER,8NK,8NK,no,2017-05-20,2017-05-20,REL,,,,8NK,47,29,,,,"InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,1,,yes,C11 H18 N5 O11 P2,458.235,,,,,,,,,,,,,,,,,no,Corina,no,5N2V,EBI,,,,, chem_comp,chem_comp_ZN,36075,190465,ZN,PDB,ZINC ION,non-polymer,,ZN,,,,,,,,,,,,,,,no,,,,,,,,,,,,,,Zn 2,65.409,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_M7G,30724,178703,M7G,PDB,7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE,NON-POLYMER,M7G,M7G,no,2012-11-20,2012-11-20,REL,,MDG,,M7G,48,29,,,,"InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,no,C11 H19 N5 O11 P2,459.243,,,,,,,,,,,,,,,,,no,,no,1EJ1,RCSB,,,,, chem_comp,chem_comp_NH2,30727,178744,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_RVJ,30729,178770,RVJ,PDB,3-triazan-1-yl-L-alanine,L-PEPTIDE LINKING,RVJ,RVJ,no,2020-02-27,2020-02-27,HOLD,,,A,RVJ,19,9,,,,"InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1",,,,,ALA,,,,,,,0,,no,C3 H10 N4 O2,134.137,,,,,,,,,,,,,,,,,no,Corina,no,6VY8,RCSB,,,,, chem_comp,chem_comp_2AG,30729,178771,2AG,PDB,(2S)-2-aminopent-4-enoic acid,L-PEPTIDE LINKING,2AG,2AG,no,2020-06-19,2020-06-19,REL,,,A,2AG,17,8,,,,"InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1",,,,,ALA,,,,,,L-allylglycine,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,no,Corina,no,3COG,RCSB,,,,, chem_comp,chem_comp_PCW,30734,178815,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30734,178816,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GSP,30734,178817,GSP,PDB,5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE,NON-POLYMER,GSP,GSP,no,2012-11-20,2012-11-20,REL,,,,GSP,48,32,,,,"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3 S,539.246,,,,,,,,,,,,,,,,,no,,no,1GIA,EBI,,,,, chem_comp,chem_comp_MG,30734,178818,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_PCW,30735,178841,PCW,PDB,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",NON-POLYMER,PCW,PCW,no,2012-11-20,2012-11-20,REL,,,,PCW,139,54,,,,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",,,,,,,,,,,"(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE",1,,no,C44 H85 N O8 P,787.121,,,,,,,,,,,,,,,,,no,,no,1T27,RCSB,,,,, chem_comp,chem_comp_17F,30735,178842,17F,PDB,"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",NON-POLYMER,17F,17F,no,2013-06-21,2013-06-21,REL,,,,17F,132,54,,,,"InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1",,,,,,,,,,,"1,2-Dioleoyl-sn-glycero-3-phospho-L-serine",0,,no,C42 H78 N O10 P,788.043,,,,,,,,,,,,,,,,,no,Corina,no,4HYT,RCSB,,,,, chem_comp,chem_comp_GDP,30735,178843,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,30735,178844,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_MYR,30738,178863,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_NH2,30744,178970,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30745,178989,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,30748,179026,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2019-11-14,2019-11-14,REL,,PCC,Q,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLN,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,30749,179047,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2019-11-14,2019-11-14,REL,,PCC,Q,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLN,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,30750,179066,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,30758,179129,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,30774,179269,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_V8Y,30774,179270,V8Y,PDB,7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid,NON-POLYMER,V8Y,V8Y,no,2020-07-21,2020-07-21,HOLD,,,,V8Y,44,24,,,,"InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21)",,,,,,,,,,,,0,,yes,C17 H20 Cl N O4 S,369.863,,,,,,,,,,,,,,,,,no,Corina,no,7JGI,RCSB,,,,, chem_comp,chem_comp_DAL,30789,179361,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,30789,179362,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DBU,30789,179363,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2020-06-18,2020-06-18,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_HEC,316,179589,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,317,179604,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,317,179605,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NH2,321,179632,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SAC,329,179683,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,chem_comp_HEC,330,179698,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,330,179699,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,331,179713,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,331,179714,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AAC,336,179764,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,336,179765,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,337,179780,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,3394,179820,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_BCL,34012,180063,BCL,PDB,BACTERIOCHLOROPHYLL A,NON-POLYMER,BCL,BCL,yes,2012-11-20,2012-11-20,REL,,,,BCL,140,66,,,,"InChI=1/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1/fC55H74N4O6.Mg/q-2;m/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-;/rC55H74MgN4O6/c1-13-39-34(7)41-29-46-48(38(11)61)36(9)43-27-42-35(8)40(23-24-47(62)66-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3)52-50-51(55(64)65-12)54(63)49-37(10)44-28-45(39)57(41)56(58(43)46,59(42)52)60(44)53(49)50/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3/b33-25+/t31-,32-,34-,35+,39-,40+,51-/m1/s1",,,,,,,,,,,,0,,yes,C55 H74 Mg N4 O6,911.504,,,,,,,,,,,,,,,,,no,Corina,no,4BCL,RCSB,,,,, chem_comp,chem_comp_PCA,34014,180104,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MYR,34015,180124,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_ACE,34017,180159,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DCY,34017,180160,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_ZN,34019,180195,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,34019,180196,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_6XM,34025,180254,6XM,PDB,"8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate",NON-POLYMER,6XM,6XM,no,2016-07-15,2016-07-15,HOLD,,,,6XM,72,38,,,,"InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2/q+1",,,,,,,,,,,,1,,yes,C31 H34 N4 O3,510.627,,,,,,,,,,,,,,,,,no,Corina,no,5LIG,EBI,,,,, chem_comp,chem_comp_ZN,34028,180316,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MYR,34029,180335,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2014-04-24,2014-04-24,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,Corina,no,1ICM,RCSB,,,,, chem_comp,chem_comp_FAR,34030,180356,FAR,PDB,FARNESYL,NON-POLYMER,FAR,FAR,no,2012-11-20,2012-11-20,REL,,,,FAR,41,15,,,,"InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+",,,,,,,,,,,,0,,no,C15 H26,206.367,,,,,,,,,,,,,,,,,no,,no,1A0R,EBI,,,,, chem_comp,chem_comp_ACE,34031,180376,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34031,180377,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_0A1,34032,180396,0A1,PDB,O-methyl-L-tyrosine,L-PEPTIDE LINKING,0A1,0A1,no,2012-11-20,2012-11-20,REL,,,Y,0A1,27,14,,,,"InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1",,,,,TYR,,,,,,,0,,yes,C10 H13 N O3,195.215,,,,,,,,,,,,,,,,,no,Corina,no,1ATL,RCSB,,,,, chem_comp,chem_comp_ACE,34032,180397,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34032,180398,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_4PH,34033,180417,4PH,PDB,4-methyl-L-phenylalanine,L-PEPTIDE LINKING,4PH,4PH,no,2012-11-20,2012-11-20,REL,,,F,4PH,26,13,,,,"InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1",,,,,PHE,,,,,,,0,,yes,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,no,Corina,no,3BV9,RCSB,,,,, chem_comp,chem_comp_ACE,34033,180418,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34033,180419,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PGM,34036,180478,PGM,PDB,1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)],NON-POLYMER,PGM,PGM,no,2012-11-20,2012-11-20,REL,,,,PGM,76,32,,,,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1",,,,,,,,,,,LYSOPHOSPHATIDYLGLYCEROL,-1,,no,C22 H44 O9 P,483.553,,,,,,,,,,,,,,,,,no,Corina,no,1N89,RCSB,,,,, chem_comp,chem_comp_NLG,3404,180556,NLG,PDB,N-ACETYL-L-GLUTAMATE,NON-POLYMER,NLG,NLG,no,2001-12-28,2011-12-14,REL,,,,NLG,24,13,,,,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1",,,,,,,,,,,,0,,no,C7 H11 N O5,189.166,,,,,,,,,,,,,,,,,no,,no,1GS5,EBI,,,,, chem_comp,chem_comp_NH2,3404,180557,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_TPO,34041,180587,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_FME,34044,180639,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,FME,FME,no,2012-11-20,2012-11-20,REL,,,M,FME,22,11,,,,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,,, chem_comp,chem_comp_DI,34056,180872,DI,PDB,2'-DEOXYINOSINE-5'-MONOPHOSPHATE,DNA LINKING,DI,DI,no,2012-11-20,2012-11-20,REL,,OIP,I,DI,35,22,,,,"InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1",,,,,,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_SEP,34058,180919,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_DCL,34060,180957,DCL,PDB,2-AMINO-4-METHYL-PENTAN-1-OL,PEPTIDE-LIKE,DCL,DCL,no,2012-11-20,2012-11-20,REL,,2LU,X,DCL,23,8,,,,"InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1",,,,,,,,,,,LEUCINOL,0,,no,C6 H15 N O,117.189,,,,,,,,,,,,,,,,,no,Corina,no,1EBK,RCSB,,,,, chem_comp,chem_comp_ACE,34060,180958,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,34060,180959,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_ZN,34061,180979,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GF2,34062,181005,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_GF0,34063,181024,GF0,PDB,2'-deoxy-2'-fluoroguanosine,NON-POLYMER,GF0,GF0,no,2016-11-14,2016-11-14,HOLD,,,,GF0,32,20,,,,"InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H12 F N5 O4,285.232,,,,,,,,,,,,,,,,,no,Corina,no,5MCR,EBI,,,,, chem_comp,chem_comp_NH2,34213,183824,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_GF2,34063,181025,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_HEC,34064,181044,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,34065,181067,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,34065,181068,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_IMT,34159,182834,IMT,PDB,4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID,NON-POLYMER,IMT,IMT,no,2012-11-20,2012-11-20,REL,,,,IMT,17,10,,,,"InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C5 H7 N3 O2,141.128,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_DCL,34065,181069,DCL,PDB,2-AMINO-4-METHYL-PENTAN-1-OL,PEPTIDE-LIKE,DCL,DCL,no,2012-11-20,2012-11-20,REL,,2LU,X,DCL,23,8,,,,"InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1",,,,,,,,,,,LEUCINOL,0,,no,C6 H15 N O,117.189,,,,,,,,,,,,,,,,,no,Corina,no,1EBK,RCSB,,,,, chem_comp,chem_comp_ACE,34066,181087,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,34066,181088,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_DCL,34066,181089,DCL,PDB,2-AMINO-4-METHYL-PENTAN-1-OL,PEPTIDE-LIKE,DCL,DCL,no,2012-11-20,2012-11-20,REL,,2LU,X,DCL,23,8,,,,"InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1",,,,,,,,,,,LEUCINOL,0,,no,C6 H15 N O,117.189,,,,,,,,,,,,,,,,,no,Corina,no,1EBK,RCSB,,,,, chem_comp,chem_comp_TYC,34069,181144,TYC,PDB,L-TYROSINAMIDE,NON-POLYMER,TYC,TYC,no,2012-11-20,2012-11-20,REL,,,,TYC,25,13,,,,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1",,,,,,,,,,,,0,,yes,C9 H12 N2 O2,180.204,,,,,,,,,,,,,,,,,no,,no,2BF9,EBI,,,,, chem_comp,chem_comp_TAF,34071,181182,TAF,PDB,2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-PHOSPHATE,DNA LINKING,TAF,TAF,no,2012-11-20,2012-11-20,REL,,,T,TAF,36,22,,,,"InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1",,,,,DT,,,,,,,0,,no,C10 H14 F N2 O8 P,340.199,,,,,,,,,,,,,,,,,no,,no,1DPN,RCSB,,,,, chem_comp,chem_comp_CD,34072,181201,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34074,181245,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34075,181263,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CD,34076,181281,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_Z90,34077,181304,Z90,PDB,4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid,NON-POLYMER,Z90,Z90,no,2012-11-20,2012-11-20,REL,,,,Z90,81,42,,,,"InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)",,,,,,,,,,,4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid),0,,yes,C36 H39 N O5,565.699,,,,,,,,,,,,,,,,,no,Corina,no,3L6J,RCSB,,,,, chem_comp,chem_comp_ZN,34082,181410,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_K,34086,181488,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,K,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AUZ,34086,181489,AUZ,PDB,"bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)",NON-POLYMER,AUZ,AUZ,no,2017-02-07,2017-02-07,HOLD,,,,AUZ,56,32,,,,"InChI=1S/2C12H12N2.2Au.2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;;/q;;2*+2;;",,,,,,,,,,,,4,,yes,C24 H24 Au2 N4 O2,794.406,,,,,,,,,,,,,,,,,no,Corina,no,5MVB,EBI,,,,, chem_comp,chem_comp_NH2,34090,181594,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34091,181610,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34092,181626,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_UU3,34093,181643,UU3,PDB,"(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione",NON-POLYMER,UU3,UU3,no,2014-12-12,2014-12-12,HOLD,,,,UU3,18,12,,,,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1",,,,,,,,,,,Dehydroascorbic Acid; DHA,0,,no,C6 H6 O6,174.108,,,,,,,,,,,,,,,,,no,Corina,no,4WIX,PDBJ,,,,, chem_comp,chem_comp_ZN,34094,181665,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,34094,181666,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_OUD,34094,181667,OUD,PDB,(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid,NON-POLYMER,OUD,OUD,no,2017-02-11,2017-02-11,HOLD,,,,OUD,21,11,,,,"InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1",,,,,,,,,,,,0,,no,C5 H10 N2 O4,162.144,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_OUE,34094,181668,OUE,PDB,(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid,NON-POLYMER,OUE,OUE,no,2017-02-11,2017-02-11,HOLD,,,,OUE,24,12,,,,"InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1",,,,,,,,,,,,0,,no,C6 H12 N2 O4,176.170,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_OUH,34094,181669,OUH,PDB,[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid,NON-POLYMER,OUH,OUH,no,2017-02-11,2017-02-11,HOLD,,,,OUH,25,13,,,,"InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1",,,,,,,,,,,,0,,yes,C7 H12 N4 O2,184.196,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_OUI,34094,181670,OUI,PDB,"[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid",NON-POLYMER,OUI,OUI,no,2017-02-11,2017-02-11,HOLD,,,,OUI,27,11,,,,"InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1",,,,,,,,,,,,0,,no,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_OUK,34094,181671,OUK,PDB,[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium,NON-POLYMER,OUK,OUK,no,2017-03-27,2017-03-27,HOLD,,,,OUK,30,12,,,,"InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1",,,,,,,,,,,,1,,no,C7 H18 N3 O2,176.237,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_OUR,34094,181672,OUR,PDB,[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium,NON-POLYMER,OUR,OUR,no,2017-03-27,2017-03-27,HOLD,,,,OUR,32,14,,,,"InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1",,,,,,,,,,,,1,,no,C7 H18 N5 O2,204.250,,,,,,,,,,,,,,,,,no,Corina,no,5N14,EBI,,,,, chem_comp,chem_comp_ZN,34102,181810,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GSH,34105,181884,GSH,PDB,GLUTATHIONE,NON-POLYMER,GSH,GSH,no,2014-04-23,2014-04-23,REL,,GTT,,GSH,37,20,,,,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",,,,,,,,,,,,0,,no,C10 H17 N3 O6 S,307.323,,,,,,,,,,,,,,,,,no,Corina,no,1DUG,RCSB,,,,, chem_comp,chem_comp_ACE,34215,183865,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_8YN,34118,182097,8YN,PDB,pseudopisocytidine,NON-POLYMER,8YN,8YN,no,2017-03-27,2017-03-27,HOLD,,,,8YN,33,19,,,,"InChI=1S/C9H14N3O6P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(18-6)3-17-19(15)16/h2,5-7,13,15-16H,1,3H2,(H3,10,11,12,14)/t5-,6+,7+/m0/s1",,,,,,,,,,,,0,,no,C9 H14 N3 O6 P,291.198,,,,,,,,,,,,,,,,,no,Corina,no,5NIP,EBI,,,,, chem_comp,chem_comp_NH2,34119,182115,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_D6M,34119,182116,D6M,PDB,N-hexadecanoyl-L-glutamic acid,NON-POLYMER,D6M,D6M,no,2014-09-06,2014-09-06,REL,,,,D6M,66,27,,,,"InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1",,,,,,,,,,,,0,,no,C21 H39 N O5,385.538,,,,,,,,,,,,,,,,,no,Corina,no,4APD,EBI,,,,, chem_comp,chem_comp_DSN,34119,182117,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_ZN,34121,182153,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,34125,182226,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_ACA,34130,182308,ACA,PDB,6-AMINOHEXANOIC ACID,PEPTIDE LINKING,ACA,ACA,no,2013-04-18,2013-04-18,REL,,AHA,,ACA,22,9,,,,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",,,,,,,,,,,AMINOCAPROIC ACID,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,3KIV,RCSB,,,,, chem_comp,chem_comp_ACA,34132,182357,ACA,PDB,6-AMINOHEXANOIC ACID,PEPTIDE LINKING,ACA,ACA,no,2013-04-18,2013-04-18,REL,,AHA,,ACA,22,9,,,,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",,,,,,,,,,,AMINOCAPROIC ACID,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,3KIV,RCSB,,,,, chem_comp,chem_comp_ACA,34133,182374,ACA,PDB,6-AMINOHEXANOIC ACID,PEPTIDE LINKING,ACA,ACA,no,2013-04-18,2013-04-18,REL,,AHA,,ACA,22,9,,,,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",,,,,,,,,,,AMINOCAPROIC ACID,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,3KIV,RCSB,,,,, chem_comp,chem_comp_ACA,34134,182391,ACA,PDB,6-AMINOHEXANOIC ACID,PEPTIDE LINKING,ACA,ACA,no,2013-04-18,2013-04-18,REL,,AHA,,ACA,22,9,,,,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",,,,,,,,,,,AMINOCAPROIC ACID,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,3KIV,RCSB,,,,, chem_comp,chem_comp_ACE,34138,182459,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34138,182460,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,34149,182641,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SF4,34153,182711,SF4,PDB,IRON/SULFUR CLUSTER,NON-POLYMER,SF4,SF4,yes,2012-11-20,2012-11-20,REL,,FS4,,SF4,8,8,,,,InChI=1/4Fe.4S/rFe4S4/c1-5-2-6(1)4-7(1)3(5)8(2)4,,,,,,,,,,,,0,no,no,Fe4 S4,351.640,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_9T5,34157,182771,9T5,PDB,"5-methyl-1,3-thiazole-4-carboxylic acid",NON-POLYMER,9T5,9T5,no,2017-07-10,2017-07-10,HOLD,,,,9T5,14,9,,,,"InChI=1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)",,,,,,,,,,,,0,,yes,C5 H5 N O2 S,143.164,,,,,,,,,,,,,,,,,no,Corina,no,5ODF,EBI,,,,, chem_comp,chem_comp_PYB,34157,182772,PYB,PDB,4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID,NON-POLYMER,PYB,PYB,no,2012-11-20,2012-11-20,REL,,,,PYB,18,10,,,,"InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C6 H8 N2 O2,140.140,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_ABU,34157,182773,ABU,PDB,GAMMA-AMINO-BUTANOIC ACID,NON-POLYMER,ABU,ABU,no,2012-11-20,2012-11-20,REL,,,,ABU,16,7,,,,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",,,,,,,,,,,GAMMA(AMINO)-BUTYRIC ACID,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1QUR,RCSB,,,,, chem_comp,chem_comp_IMT,34157,182774,IMT,PDB,4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID,NON-POLYMER,IMT,IMT,no,2012-11-20,2012-11-20,REL,,,,IMT,17,10,,,,"InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C5 H7 N3 O2,141.128,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_9T8,34157,182775,9T8,PDB,3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,NON-POLYMER,9T8,9T8,no,2017-07-10,2017-07-10,HOLD,,,,9T8,33,12,,,,"InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2",,,,,,,,,,,,2,,no,C8 H21 N3 O,175.272,,,,,,,,,,,,,,,,,no,Corina,no,5ODF,EBI,,,,, chem_comp,chem_comp_DCZ,34157,182776,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_9U2,34158,182801,9U2,PDB,"5-propan-2-yl-1,3-thiazole-4-carbaldehyde",NON-POLYMER,9U2,9U2,no,2017-07-12,2017-07-12,HOLD,,,,9U2,19,10,,,,"InChI=1S/C7H9NOS/c1-5(2)7-6(3-9)8-4-10-7/h3-5H,1-2H3",,,,,,,,,,,,0,,yes,C7 H9 N O S,155.217,,,,,,,,,,,,,,,,,no,Corina,no,5ODM,RCSB,,,,, chem_comp,chem_comp_PYB,34158,182802,PYB,PDB,4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID,NON-POLYMER,PYB,PYB,no,2012-11-20,2012-11-20,REL,,,,PYB,18,10,,,,"InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C6 H8 N2 O2,140.140,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_ABU,34158,182803,ABU,PDB,GAMMA-AMINO-BUTANOIC ACID,NON-POLYMER,ABU,ABU,no,2012-11-20,2012-11-20,REL,,,,ABU,16,7,,,,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",,,,,,,,,,,GAMMA(AMINO)-BUTYRIC ACID,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1QUR,RCSB,,,,, chem_comp,chem_comp_IMT,34158,182804,IMT,PDB,4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID,NON-POLYMER,IMT,IMT,no,2012-11-20,2012-11-20,REL,,,,IMT,17,10,,,,"InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C5 H7 N3 O2,141.128,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_9T8,34158,182805,9T8,PDB,3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,NON-POLYMER,9T8,9T8,no,2017-07-10,2017-07-10,HOLD,,,,9T8,33,12,,,,"InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2",,,,,,,,,,,,2,,no,C8 H21 N3 O,175.272,,,,,,,,,,,,,,,,,no,Corina,no,5ODF,EBI,,,,, chem_comp,chem_comp_DCZ,34158,182806,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_9TK,34159,182831,9TK,PDB,1-methylimidazole-2-carboxylic acid,NON-POLYMER,9TK,9TK,no,2017-07-11,2017-07-11,HOLD,,,,9TK,15,9,,,,"InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)",,,,,,,,,,,,0,,yes,C5 H6 N2 O2,126.113,,,,,,,,,,,,,,,,,no,Corina,no,5OE1,EBI,,,,, chem_comp,chem_comp_PYB,34159,182832,PYB,PDB,4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID,NON-POLYMER,PYB,PYB,no,2012-11-20,2012-11-20,REL,,,,PYB,18,10,,,,"InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)",,,,,,,,,,,,0,,yes,C6 H8 N2 O2,140.140,,,,,,,,,,,,,,,,,yes,,no,1M18,RCSB,,,,, chem_comp,chem_comp_ABU,34159,182833,ABU,PDB,GAMMA-AMINO-BUTANOIC ACID,NON-POLYMER,ABU,ABU,no,2012-11-20,2012-11-20,REL,,,,ABU,16,7,,,,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",,,,,,,,,,,GAMMA(AMINO)-BUTYRIC ACID,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1QUR,RCSB,,,,, chem_comp,chem_comp_9T8,34159,182835,9T8,PDB,3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,NON-POLYMER,9T8,9T8,no,2017-07-10,2017-07-10,HOLD,,,,9T8,33,12,,,,"InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2",,,,,,,,,,,,2,,no,C8 H21 N3 O,175.272,,,,,,,,,,,,,,,,,no,Corina,no,5ODF,EBI,,,,, chem_comp,chem_comp_DCZ,34159,182836,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_CA,34161,182880,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DNR,34162,182902,DNR,PDB,2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,DNR,DNR,no,2012-11-20,2012-11-20,REL,,,C,DNR,35,20,,,,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p+1/t5-,6+,8+/m0/s1",,,,,DC,,,,,,,1,,no,C9 H15 N3 O7 P,308.205,,,,,,,,,,,,,,,,,yes,,no,1LAQ,RCSB,,,,, chem_comp,chem_comp_THM,34162,182903,THM,PDB,THYMIDINE,DNA OH 5 PRIME TERMINUS,THM,THM,no,2017-08-21,2017-08-21,REL,,,,THM,31,17,,,,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",,,,,,,,,,,DEOXYTHYMIDINE; 2'-DEOXYTHYMIDINE,0,,no,C10 H14 N2 O5,242.229,,,,,,,,,,,,,,,,,no,,no,1KIM,EBI,,,,, chem_comp,chem_comp_LE1,34165,182958,LE1,PDB,3-sulfanyl-L-valine,L-PEPTIDE LINKING,LE1,LE1,no,2012-11-20,2012-11-20,REL,,,,LE1,20,9,,,,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1",,,,,VAL,,,,,,L-LE1ICILLAMINE,0,,no,C5 H11 N O2 S,149.211,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_ACE,34165,182959,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DCY,34165,182960,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_NAL,34165,182961,NAL,PDB,BETA-(2-NAPHTHYL)-ALANINE,L-PEPTIDE LINKING,NAL,NAL,no,2012-11-20,2012-11-20,REL,,,A,NAL,29,16,,,,"InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1",,,,,ALA,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,Corina,no,2ITK,RCSB,,,,, chem_comp,chem_comp_9XQ,34166,182980,9XQ,PDB,[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium,NON-POLYMER,9XQ,9XQ,no,2017-07-30,2017-07-30,HOLD,,,,9XQ,23,13,,,,"InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1",,,,,,,,,,,,1,,yes,C8 H10 N3 O2,180.184,,,,,,,,,,,,,,,,,no,Corina,no,5OLF,EBI,,,,, chem_comp,chem_comp_BGM,34168,183019,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_PSU,34171,183074,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_GNG,34172,183093,GNG,PDB,2'-DEOXY-GUANOSINE,NON-POLYMER,GNG,GNG,no,2012-11-20,2012-11-20,REL,,,,GNG,32,19,,,,"InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",,,,,G,,,,,,,0,,yes,C10 H13 N5 O4,267.241,,,,,,,,,,,,,,,,,no,,no,1NH3,RCSB,,,,, chem_comp,chem_comp_GFL,34174,183131,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HYP,34183,183275,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_BGM,34186,183330,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_U37,34199,183562,U37,PDB,URIDINE 5'-MONOTHIOPHOSPHATE,RNA LINKING,U37,U37,no,2012-11-20,2012-11-20,REL,,T31,U,U37,34,21,,,,"InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O8 P S,340.247,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GFL,34210,183755,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MK8,34213,183823,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2017-03-01,2017-03-01,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_ACE,34213,183825,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MK8,34214,183843,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2017-03-01,2017-03-01,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_NH2,34214,183844,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,34214,183845,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_MK8,34215,183863,MK8,PDB,2-methyl-L-norleucine,L-PEPTIDE LINKING,MK8,MK8,no,2017-03-01,2017-03-01,REL,,,L,MK8,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1",,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,Corina,no,3MK8,RCSB,,,,, chem_comp,chem_comp_NH2,34215,183864,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_D5B,34221,183987,D5B,PDB,[8-(aminomethyl)anthracen-1-yl]methanamine,NON-POLYMER,D5B,D5B,no,2017-12-21,2017-12-21,HOLD,,,,D5B,34,18,,,,"InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2",,,,,,,,,,,,0,,yes,C16 H16 N2,236.312,,,,,,,,,,,,,,,,,no,Corina,no,6FC9,EBI,,,,, chem_comp,chem_comp_DPN,34222,184006,DPN,PDB,D-PHENYLALANINE,D-PEPTIDE LINKING,DPN,DPN,no,2013-02-06,2013-02-06,REL,,,F,DPN,23,12,,,,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_AC5,34222,184007,AC5,PDB,1-AMINOCYCLOPENTANECARBOXYLIC ACID,PEPTIDE LINKING,AC5,AC5,no,2012-11-20,2012-11-20,REL,,,,AC5,20,9,,,,"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",,,,,,,,,,,CYCLO-LEUCINE,0,,no,C6 H11 N O2,129.157,,,,,,,,,,,,,,,,,no,Corina,no,1Y1M,RCSB,,,,, chem_comp,chem_comp_NH2,34222,184008,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,34225,184068,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,34226,184091,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,34231,184176,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TYS,34232,184197,TYS,PDB,O-SULFO-L-TYROSINE,L-PEPTIDE LINKING,TYS,TYS,no,2012-11-27,2012-11-27,REL,,STY,Y,TYS,28,17,,,,"InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,,0,,yes,C9 H11 N O6 S,261.252,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,34233,184221,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,34240,184350,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_HG,34244,184391,HG,PDB,MERCURY (II) ION,NON-POLYMER,HG,HG,no,2012-11-20,2012-11-20,REL,,,,HG,1,1,,,,InChI=1S/Hg/q+2,,,,,,,,,,,,2,,no,Hg,200.590,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HG,34245,184414,HG,PDB,MERCURY (II) ION,NON-POLYMER,HG,HG,no,2012-11-20,2012-11-20,REL,,,,HG,1,1,,,,InChI=1S/Hg/q+2,,,,,,,,,,,,2,,no,Hg,200.590,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ZN,34257,184640,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,34258,184667,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,34262,184782,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_EVT,34264,184820,EVT,PDB,(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid,NON-POLYMER,EVT,EVT,no,2018-06-16,2018-06-16,REL,,,,EVT,82,36,,,,"InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1",,,,,,,,,,,,0,,no,C26 H46 N2 O8,514.652,,,,,,,,,,,,,,,,,yes,Corina,no,6GDZ,EBI,,,,, chem_comp,chem_comp_AIB,34264,184821,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_NH2,34264,184822,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_EVT,34266,184862,EVT,PDB,(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid,NON-POLYMER,EVT,EVT,no,2018-06-16,2018-06-16,REL,,,,EVT,82,36,,,,"InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1",,,,,,,,,,,,0,,no,C26 H46 N2 O8,514.652,,,,,,,,,,,,,,,,,yes,Corina,no,6GDZ,EBI,,,,, chem_comp,chem_comp_AIB,34266,184863,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,2012-11-20,2012-11-20,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_NH2,34266,184864,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34267,184882,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,34268,184899,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,34293,185432,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FE,4341,198415,FE,PDB,FE (III) ION,NON-POLYMER,FE,FE,no,1999-07-08,2011-12-14,REL,,,,FE,1,1,,,,InChI=1S/Fe/q+3,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_EAN,34276,185039,EAN,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,EAN,EAN,no,2018-05-30,2018-05-30,HOLD,,,,EAN,41,24,,,,"InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DT,,,,,,,0,,no,C13 H17 N2 O8 P,360.256,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_F4Q,34276,185040,F4Q,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,F4Q,F4Q,no,2018-05-31,2018-05-31,HOLD,,,,F4Q,42,26,,,,"InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1",,,,,DG,,,,,,,0,,yes,C13 H16 N5 O7 P,385.269,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_TCJ,34276,185041,TCJ,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,TCJ,TCJ,no,2018-03-12,2018-03-12,HOLD,,,,TCJ,42,24,,,,"InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DC,,,,,,,0,,no,C13 H18 N3 O7 P,359.272,,,,,,,,,,,,,,,,,no,Corina,no,6FW6,EBI,,,,, chem_comp,chem_comp_NLE,34339,186287,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,2012-11-20,2012-11-20,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_TCY,34276,185042,TCY,PDB,"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",DNA LINKING,TCY,TCY,no,2012-11-20,2012-11-20,REL,,,A,TCY,41,25,,,,"InChI=1S/C13H16N5O6P/c14-9-8-10(16-4-15-9)18(5-17-8)7-3-12(19)1-6-2-13(6,11(12)23-7)24-25(20,21)22/h4-7,11,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)/t6-,7-,11+,12+,13-/m1/s1",,,,,DA,,,,,,,0,,yes,C13 H16 N5 O6 P,369.270,,,,,,,,,,,,,,,,,no,Corina,no,2RF3,RCSB,,,,, chem_comp,chem_comp_EAN,34277,185064,EAN,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,EAN,EAN,no,2018-05-30,2018-05-30,HOLD,,,,EAN,41,24,,,,"InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DT,,,,,,,0,,no,C13 H17 N2 O8 P,360.256,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_F4Q,34277,185065,F4Q,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,F4Q,F4Q,no,2018-05-31,2018-05-31,HOLD,,,,F4Q,42,26,,,,"InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1",,,,,DG,,,,,,,0,,yes,C13 H16 N5 O7 P,385.269,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_TCJ,34277,185066,TCJ,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,TCJ,TCJ,no,2018-03-12,2018-03-12,HOLD,,,,TCJ,42,24,,,,"InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DC,,,,,,,0,,no,C13 H18 N3 O7 P,359.272,,,,,,,,,,,,,,,,,no,Corina,no,6FW6,EBI,,,,, chem_comp,chem_comp_TCY,34277,185067,TCY,PDB,"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",DNA LINKING,TCY,TCY,no,2012-11-20,2012-11-20,REL,,,A,TCY,41,25,,,,"InChI=1S/C13H16N5O6P/c14-9-8-10(16-4-15-9)18(5-17-8)7-3-12(19)1-6-2-13(6,11(12)23-7)24-25(20,21)22/h4-7,11,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)/t6-,7-,11+,12+,13-/m1/s1",,,,,DA,,,,,,,0,,yes,C13 H16 N5 O6 P,369.270,,,,,,,,,,,,,,,,,no,Corina,no,2RF3,RCSB,,,,, chem_comp,chem_comp_EAN,34280,185126,EAN,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,EAN,EAN,no,2018-05-30,2018-05-30,HOLD,,,,EAN,41,24,,,,"InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DT,,,,,,,0,,no,C13 H17 N2 O8 P,360.256,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_F4Q,34280,185127,F4Q,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,F4Q,F4Q,no,2018-05-31,2018-05-31,HOLD,,,,F4Q,42,26,,,,"InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1",,,,,DG,,,,,,,0,,yes,C13 H16 N5 O7 P,385.269,,,,,,,,,,,,,,,,,no,Corina,no,6GN4,EBI,,,,, chem_comp,chem_comp_F7H,34280,185128,F7H,PDB,"4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one",DNA LINKING,F7H,F7H,no,2018-06-07,2018-06-07,HOLD,,,,F7H,37,20,,,,"InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1",,,,,DC,,,,,,,0,,no,C13 H17 N3 O4,279.292,,,,,,,,,,,,,,,,,no,Corina,no,6GMY,EBI,,,,, chem_comp,chem_comp_TCJ,34280,185129,TCJ,PDB,"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",DNA LINKING,TCJ,TCJ,no,2018-03-12,2018-03-12,HOLD,,,,TCJ,42,24,,,,"InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1",,,,,DC,,,,,,,0,,no,C13 H18 N3 O7 P,359.272,,,,,,,,,,,,,,,,,no,Corina,no,6FW6,EBI,,,,, chem_comp,chem_comp_TCY,34280,185130,TCY,PDB,"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",DNA LINKING,TCY,TCY,no,2012-11-20,2012-11-20,REL,,,A,TCY,41,25,,,,"InChI=1S/C13H16N5O6P/c14-9-8-10(16-4-15-9)18(5-17-8)7-3-12(19)1-6-2-13(6,11(12)23-7)24-25(20,21)22/h4-7,11,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)/t6-,7-,11+,12+,13-/m1/s1",,,,,DA,,,,,,,0,,yes,C13 H16 N5 O6 P,369.270,,,,,,,,,,,,,,,,,no,Corina,no,2RF3,RCSB,,,,, chem_comp,chem_comp_CD,34282,185169,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CD,34288,185290,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CD,34289,185317,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_ATP,34290,185347,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,NON-POLYMER,ATP,ATP,no,2012-11-20,2012-11-20,REL,,,,ATP,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,,, chem_comp,chem_comp_MG,34290,185348,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ACE,34295,185472,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34295,185473,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FGW,34296,185496,FGW,PDB,~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazole-2-carboxamide,NON-POLYMER,FGW,FGW,no,2018-07-04,2018-07-04,HOLD,,,,FGW,166,91,,,,"InChI=1S/C60H75N21O10/c1-35(2)81-21-19-62-51(81)59(90)69-40-26-46(78(9)32-40)57(88)67-38-24-44(76(7)30-38)55(86)65-36-22-42(74(5)28-36)53(84)63-16-12-14-50(83)71-48-34-80(11)52(72-48)60(91)70-41-27-47(79(10)33-41)58(89)68-39-25-45(77(8)31-39)56(87)66-37-23-43(75(6)29-37)54(85)64-18-15-49(82)61-17-13-20-73(3)4/h19,21-35H,12-18,20H2,1-11H3,(H,61,82)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,70,91)(H,71,83)",,,,,,,,,,,,0,,yes,C60 H75 N21 O10,1250.372,,,,,,,,,,,,,,,,,no,Corina,no,6GZ7,EBI,,,,, chem_comp,chem_comp_AAC,439,199429,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_PA9,34296,185497,PA9,PDB,N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine,NON-POLYMER,PA9,PA9,no,2012-11-20,2012-11-20,REL,,,,PA9,36,19,,,,"InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1",,,,,,,,,,,,0,,no,C9 H17 N2 O7 P,296.214,,,,,,,,,,,,,,,,,no,Corina,no,3D8I,RCSB,,,,, chem_comp,chem_comp_FKZ,34303,185634,FKZ,PDB,octan-1-amine,NON-POLYMER,FKZ,FKZ,no,2018-07-19,2018-07-19,HOLD,,,,FKZ,28,9,,,,"InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3",,,,,,,,,,,,0,,no,C8 H19 N,129.243,,,,,,,,,,,,,,,,,no,Corina,no,6H3E,EBI,,,,, chem_comp,chem_comp_NH2,34303,185635,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34305,185675,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34306,185692,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,34308,185735,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,34308,185736,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,2012-11-20,2012-11-20,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_PSU,34311,185776,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_GDZ,34312,185797,GDZ,PDB,"2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one",NON-POLYMER,GDZ,GDZ,no,2018-09-13,2018-09-13,HOLD,,,,GDZ,50,29,,,,"InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3",,,,,,,,,,,SMN-C5,0,,yes,C21 H21 F N6 O,392.429,,,,,,,,,,,,,,,,,no,Corina,no,6HMO,EBI,,,,, chem_comp,chem_comp_PSU,34312,185798,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_NH2,34314,185834,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34315,185851,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,34316,185868,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_E9M,34319,185907,E9M,PDB,N-methyl-L-tryptophan,L-PEPTIDE LINKING,E9M,E9M,no,2018-12-18,2018-12-18,REL,,,W,E9M,30,16,,,,"InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1",,,,,TRP,,,,,,,0,,yes,C12 H14 N2 O2,218.252,,,,,,,,,,,,,,,,,no,Corina,no,6BVW,RCSB,,,,, chem_comp,chem_comp_ACE,34320,185924,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34320,185925,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PSU,34323,185985,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_PSU,34324,186006,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA LINKING,PSU,PSU,no,2012-11-20,2012-11-20,REL,,,U,PSU,34,21,,,,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,,, chem_comp,chem_comp_DP,34328,186064,DP,PDB,"[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",DNA LINKING,DP,DP,no,2018-11-12,2018-11-12,HOLD,,,,DP,37,23,,,,"InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H2,11,13,17)(H2,18,19,20)/t5-,6+,7+/m0/s1",,,,,,,,,,,,0,,no,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,Corina,no,6I4O,EBI,,,,, chem_comp,chem_comp_DZ,34328,186065,DZ,PDB,"[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",DNA LINKING,DZ,DZ,no,2018-11-12,2018-11-12,HOLD,,,,DZ,37,23,,,,"InChI=1S/C10H14N3O9P/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(22-7)3-21-23(18,19)20/h1,6-8,14H,2-3H2,(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,no,C10 H14 N3 O9 P,351.207,,,,,,,,,,,,,,,,,no,Corina,no,6I4O,EBI,,,,, chem_comp,chem_comp_ZN,34330,186116,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_8OG,34331,186137,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_8OG,34332,186154,8OG,PDB,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,8OG,8OG,no,2012-11-20,2012-11-20,REL,,G42,G,8OG,38,24,,,,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,,, chem_comp,chem_comp_ACE,34337,186251,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34337,186252,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ABA,34339,186285,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_NH2,34339,186286,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AAR,34345,186394,AAR,PDB,ARGININEAMIDE,L-PEPTIDE LINKING,AAR,AAR,no,2012-11-20,2012-11-20,REL,,,R,AAR,28,12,,,,"InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1",,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,,, chem_comp,chem_comp_AAR,34346,186411,AAR,PDB,ARGININEAMIDE,L-PEPTIDE LINKING,AAR,AAR,no,2012-11-20,2012-11-20,REL,,,R,AAR,28,12,,,,"InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1",,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,,, chem_comp,chem_comp_PCA,34346,186412,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2019-11-14,2019-11-14,REL,,PCC,Q,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLN,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AZM,34347,186431,AZM,PDB,"5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE",NON-POLYMER,AZM,AZM,no,2012-11-20,2012-11-20,REL,,,,AZM,19,13,,,,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",,,,,,,,,,,,0,,yes,C4 H6 N4 O3 S2,222.245,,,,,,,,,,,,,,,,,no,,no,1AZM,RCSB,,,,, chem_comp,chem_comp_ZN,34347,186432,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AYA,3435,186481,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_J32,34353,186553,J32,PDB,[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate,NON-POLYMER,J32,J32,no,2019-01-16,2019-01-16,HOLD,,,,J32,58,35,,,,"InChI=1S/C28H23O6P/c29-16-25(34-35(30,31)32)18-33-17-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29H,16-18H2,(H2,30,31,32)/t25-/m0/s1",,,,,,,,,,,,0,,yes,C28 H23 O6 P,486.452,,,,,,,,,,,,,,,,,no,Corina,no,6QHI,EBI,,,,, chem_comp,chem_comp_ZN,34355,186591,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CD,34356,186615,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,2012-11-20,2012-11-20,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AYA,3436,186691,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_DAL,34360,186706,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DCY,34363,186763,DCY,PDB,D-CYSTEINE,D-PEPTIDE LINKING,DCY,DCY,no,2012-11-20,2012-11-20,REL,,,C,DCY,14,7,,,,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2 S,121.158,,,,,,,,,,,,,,,,,no,,no,1F57,RCSB,,,,, chem_comp,chem_comp_JKH,34366,186799,JKH,PDB,4-amino-Proline,L-PEPTIDE LINKING,JKH,JKH,no,2019-09-05,2019-09-05,REL,,,P,JKH,20,9,,,,"InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1",,,,,PRO,,,,,,,1,,no,C5 H11 N2 O2,131.153,,,,,,,,,,,,,,,,,no,Corina,no,6QXB,EBI,,,,, chem_comp,chem_comp_NH2,34366,186800,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PH6,34367,186818,PH6,PDB,(4S)-4-cyclohexyl-L-proline,L-PEPTIDE LINKING,PH6,PH6,no,2015-05-30,2015-05-30,REL,,,P,PH6,33,14,,,,"InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1",,,,,PRO,,,,,,,0,,no,C11 H19 N O2,197.274,,,,,,,,,,,,,,,,,no,Corina,no,5AH4,EBI,,,,, chem_comp,chem_comp_NH2,34367,186819,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DAL,34369,186838,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AYA,3437,186855,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_DBB,34370,186870,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DAL,34371,186887,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,34372,186904,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DHA,34372,186905,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_DAL,34373,186922,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_K,34441,188181,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,K,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,34374,186939,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBU,34374,186940,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DHA,34374,186941,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,DHA,DHA,no,2012-11-20,2012-11-20,REL,,,S,DHA,11,6,,,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,Corina,no,1QOW,EBI,,,,, chem_comp,chem_comp_LN8,34378,186976,LN8,PDB,Kiteplatin,NON-POLYMER,LN8,LN8,no,2019-08-29,2019-08-29,HOLD,,,,LN8,25,11,,,,"InChI=1S/C6H14N2.2ClH.Pt/c7-5-1-2-6(8)4-3-5;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+4/p-2/t5-,6+;;;",,,,,,,,,,,,2,,no,C6 H14 Cl2 N2 Pt,380.173,,,,,,,,,,,,,,,,,yes,Corina,no,6R14,PDBE,,,,, chem_comp,chem_comp_JPT,34379,186996,JPT,PDB,6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one,NON-POLYMER,JPT,JPT,no,2019-03-23,2019-03-23,HOLD,,,,JPT,26,16,,,,"InChI=1S/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2",,,,,,,,,,,,0,,yes,C11 H10 O4 S,238.260,,,,,,,,,,,,,,,,,no,Corina,no,6R1V,RCSB,,,,, chem_comp,chem_comp_FES,4440,200588,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_HCS,34380,187017,HCS,PDB,2-AMINO-4-MERCAPTO-BUTYRIC ACID,L-PEPTIDE LINKING,HCS,HCS,no,2012-11-20,2012-11-20,REL,,,X,HCS,17,8,,,,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1JVI,RCSB,,,,, chem_comp,chem_comp_PTR,34384,187071,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,2012-11-20,2012-11-20,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ABA,34387,187111,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_ABA,34388,187129,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_BGM,34389,187146,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_BGM,34390,187165,BGM,PDB,8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,DNA LINKING,BGM,BGM,no,2012-11-20,2012-11-20,REL,,,G,BGM,37,24,,,,"InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1",,,,,DG,,,,,,,0,,yes,C10 H13 Br N5 O7 P,426.117,,,,,,,,,,,,,,,,,yes,,no,1N7A,RCSB,,,,, chem_comp,chem_comp_ACE,34391,187184,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,34391,187185,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_TPO,34395,187263,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2012-11-20,2012-11-20,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_DCZ,34397,187310,DCZ,PDB,2'-DEOXYCYTIDINE,DNA OH 5 PRIME TERMINUS,DCZ,DCZ,no,2017-07-13,2017-07-13,REL,,,,DCZ,29,16,,,,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N3 O4,227.217,,,,,,,,,,,,,,,,,no,,no,1J90,RCSB,,,,, chem_comp,chem_comp_K4Z,34397,187311,K4Z,PDB,3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium,NON-POLYMER,K4Z,K4Z,no,2019-06-08,2019-06-08,REL,,,,K4Z,164,90,,,,"InChI=1S/C58H72N22O10/c1-72(2)18-11-14-60-47(81)13-16-63-52(84)41-21-34(27-75(41)5)65-54(86)43-23-36(29-77(43)7)67-56(88)45-25-38(31-79(45)9)69-58(90)49-70-46(32-80(49)10)71-50(82)39(59)12-15-62-51(83)40-20-33(26-74(40)4)64-53(85)42-22-35(28-76(42)6)66-55(87)44-24-37(30-78(44)8)68-57(89)48-61-17-19-73(48)3/h17,19-32,39H,11-16,18,59H2,1-10H3,(H,60,81)(H,62,83)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,71,82)/p+2/t39-/m1/s1",,,,,,,,,,,,2,,yes,C58 H74 N22 O10,1239.350,,,,,,,,,,,,,,,,,no,Corina,no,6RIO,EBI,,,,, chem_comp,chem_comp_BTN,34400,187382,BTN,PDB,BIOTIN,NON-POLYMER,BTN,BTN,no,2014-04-29,2014-04-29,REL,,,,BTN,32,16,,,,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",,,,,,,,,,,,0,,no,C10 H16 N2 O3 S,244.311,,,,,,,,,,,,,,,,,no,Corina,no,1DF8,RCSB,,,,, chem_comp,chem_comp_KFB,34400,187383,KFB,PDB,5-Aminovaleric Acid,NON-POLYMER,KFB,KFB,no,2019-05-18,2019-05-18,HOLD,,,,KFB,19,8,,,,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",,,,,,,,,,,5-aminopentanoic acid,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,Corina,no,6RQS,PDBE,,,,, chem_comp,chem_comp_GF2,34403,187441,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_ZN,34409,187539,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,34424,187841,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ADN,34428,187921,ADN,PDB,ADENOSINE,NON-POLYMER,ADN,ADN,no,2012-11-20,2012-11-20,REL,,,,ADN,32,19,,,,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N5 O4,267.241,,,,,,,,,,,,,,,,,no,,no,1BX4,RCSB,,,,, chem_comp,chem_comp_K,34431,187993,K,PDB,POTASSIUM ION,NON-POLYMER,K,K,no,2012-11-20,2012-11-20,REL,,,,K,1,1,,,,InChI=1S/K/q+1,,,,,,,,,,,,1,,no,K,39.098,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LWQ,34435,188066,LWQ,PDB,"~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide",NON-POLYMER,LWQ,LWQ,no,2019-09-25,2019-09-25,HOLD,,,,LWQ,57,34,,,,"InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2",,,,,,,,,,,,2,,yes,C27 H23 N5 O2,449.504,,,,,,,,,,,,,,,,,no,Corina,no,6SX3,EBI,,,,, chem_comp,chem_comp_GF2,34444,188220,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_GFL,34444,188221,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GF2,34445,188241,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_MAN,36056,190182,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_GFL,34445,188242,GFL,PDB,"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE",DNA LINKING,GFL,GFL,no,2012-11-20,2012-11-20,REL,,,G,GFL,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1",,,,,DG,,,,,,2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,34461,188462,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,34496,188924,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GF2,34499,188996,GF2,PDB,2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),DNA LINKING,GF2,GF2,no,2012-11-20,2012-11-20,REL,,,,GF2,37,24,,,,"InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1",,,,,DG,,,,,,,0,,yes,C10 H13 F N5 O7 P,365.212,,,,,,,,,,,,,,,,,no,Corina,no,2KWG,RCSB,,,,, chem_comp,chem_comp_LCG,34499,188997,LCG,PDB,"[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE",RNA LINKING,LCG,LCG,no,2012-11-20,2012-11-20,REL,,,G,LCG,39,25,,,,"InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1",,,,,DG,,,,,,,0,,yes,C11 H14 N5 O8 P,375.231,,,,,,,,,,,,,,,,,no,,no,1H0Q,EBI,,,,, chem_comp,chem_comp_HEC,345,189017,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,345,189018,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_LCG,34502,189058,LCG,PDB,"[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE",RNA LINKING,LCG,LCG,no,2012-11-20,2012-11-20,REL,,,G,LCG,39,25,,,,"InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1",,,,,DG,,,,,,,0,,yes,C11 H14 N5 O8 P,375.231,,,,,,,,,,,,,,,,,no,,no,1H0Q,EBI,,,,, chem_comp,chem_comp_HEC,346,189177,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,346,189178,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AYA,3471,189205,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,3472,189219,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,H1,355,189350,H1,,Nt-(1-(4-phenyl-3S-tosylamidobutan-2-onyl))-L-histidine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,36,189413,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ALY,36000,189440,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_CA,36005,189488,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TB,36005,189489,TB,PDB,TERBIUM(III) ION,NON-POLYMER,TB,TB,no,2012-11-20,2012-11-20,REL,,,,TB,1,1,,,,InChI=1S/Tb/q+3,,,,,,,,,,,,3,,no,Tb,158.925,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ALY,36006,189509,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_ALY,36007,189533,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_ALY,36008,189557,ALY,PDB,N(6)-ACETYLLYSINE,L-PEPTIDE LINKING,ALY,ALY,no,2012-11-20,2012-11-20,REL,,,K,ALY,29,13,,,,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,EBI,,,,, chem_comp,chem_comp_DSN,36009,189581,DSN,PDB,D-SERINE,D-PEPTIDE LINKING,DSN,DSN,no,2012-11-20,2012-11-20,REL,,,S,DSN,14,7,,,,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,,, chem_comp,chem_comp_NA,36020,189749,NA,PDB,SODIUM ION,NON-POLYMER,NA,NA,no,2012-11-20,2012-11-20,REL,,,,NA,1,1,,,,InChI=1S/Na/q+1,,,,,,,,,,,,1,,no,Na,22.990,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MAN,36051,190077,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_MAN,36052,190098,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_MAN,36053,190119,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_BGC,36054,190140,BGC,PDB,BETA-D-GLUCOSE,SACCHARIDE,BGC,BGC,no,2012-11-20,2012-11-20,REL,,,,BGC,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,Corina,no,1GU3,EBI,,,,, chem_comp,chem_comp_MAN,36055,190161,MAN,PDB,ALPHA-D-MANNOSE,D-SACCHARIDE,MAN,MAN,no,2014-04-02,2014-04-02,REL,,,,MAN,24,12,,,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1GPZ,RCSB,,,,, chem_comp,chem_comp_SEP,36081,190552,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_SEP,36082,190569,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_CA,36086,190636,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,36143,191113,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,36157,191229,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,36157,191230,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DBU,36157,191231,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_DAL,36158,191246,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DBB,36158,191247,DBB,PDB,D-ALPHA-AMINOBUTYRIC ACID,D-PEPTIDE LINKING,DBB,DBB,no,2015-02-19,2015-02-19,REL,,AA3,T,DBB,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",,,,,,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1AJ1,EBI,,,,, chem_comp,chem_comp_DBU,36158,191248,DBU,PDB,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,DBU,DBU,no,2012-11-20,2012-11-20,REL,,,T,DBU,14,7,,,,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_9F0,36159,191264,9F0,PDB,"4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline",NON-POLYMER,9F0,9F0,no,2018-09-15,2018-09-15,REL,,,,9F0,124,61,,,,"InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30;3*5-1-3-7-4-2-6;;;/h1-24H;3*7H,1-6H2;;;/q;;;;3*+4",,,,,,,,,,,,12,,yes,C45 H63 N13 Pt3,1371.303,,,,,,,,,,,,,,,,,no,Corina,no,5Z8F,RCSB,,,,, chem_comp,chem_comp_9F0,36160,191287,9F0,PDB,"4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline",NON-POLYMER,9F0,9F0,no,2018-09-15,2018-09-15,REL,,,,9F0,124,61,,,,"InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30;3*5-1-3-7-4-2-6;;;/h1-24H;3*7H,1-6H2;;;/q;;;;3*+4",,,,,,,,,,,,12,,yes,C45 H63 N13 Pt3,1371.303,,,,,,,,,,,,,,,,,no,Corina,no,5Z8F,RCSB,,,,, chem_comp,chem_comp_MQO,36163,191346,MQO,PDB,8-methoxy-6-methylquinolin-4(1H)-one,NON-POLYMER,MQO,MQO,no,2018-02-09,2018-02-09,REL,,,,MQO,25,14,,,,"InChI=1S/C11H11NO2/c1-7-5-8-9(13)3-4-12-11(8)10(6-7)14-2/h3-6H,1-2H3,(H,12,13)",,,,,,,,,,,,0,,yes,C11 H11 N O2,189.211,,,,,,,,,,,,,,,,,no,Corina,no,5Z9C,PDBJ,,,,, chem_comp,chem_comp_GNP,36166,191390,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,2012-11-20,2012-11-20,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_KBF,36166,191391,KBF,PDB,3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide,NON-POLYMER,KBF,KBF,no,2018-09-08,2018-09-08,REL,,,,KBF,37,20,,,,"InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1",,,,,,,,,,,3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide,0,,yes,C16 H17 N O3,271.311,,,,,,,,,,,,,,,,,no,Corina,no,5ZC6,RCSB,,,,, chem_comp,chem_comp_MG,36166,191392,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_9F6,36172,191481,9F6,PDB,(2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one,NON-POLYMER,9F6,9F6,no,2018-03-16,2018-03-16,HOLD,,,,9F6,28,17,,,,"InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+",,,,,,,,,,,,0,,yes,C14 H11 N O2,225.243,,,,,,,,,,,,,,,,,no,Corina,no,5ZGG,PDBJ,,,,, chem_comp,chem_comp_NH2,36177,191555,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HOH,4341,198416,HOH,PDB,WATER,NON-POLYMER,HOH,HOH,no,1999-07-08,2011-12-14,REL,,MTO,,HOH,3,1,,,,InChI=1S/H2O/h1H2,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,,, chem_comp,chem_comp_HEC,367,192033,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,369,192048,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,39,192207,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_SAC,390,192221,SAC,PDB,N-ACETYL-SERINE,L-PEPTIDE LINKING,SAC,SAC,no,1999-07-08,2011-12-14,REL,,,S,SAC,19,10,,,,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,,, chem_comp,chem_comp_CU1,4019,192430,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 13:52:12 2011",, chem_comp,chem_comp_ZN,4024,192503,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_TMP,4027,192520,TMP,,THYMIDINE-5'-PHOSPHATE,non-polymer,,TMP,no,1999-07-08,2011-06-04,REL,,,,TMP,,,,,,,,,,,,,,,,,,0,,no,C10 H15 N2 O8 P,322.208,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 14:06:10 2011",, chem_comp,chem_comp_NDP,4027,192521,NDP,,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NDP,no,1999-07-08,2011-06-04,REL,,,,NDP,,,,,,,,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 14:13:18 2011",, chem_comp,chem_comp_MYR,4030,192572,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 09:58:59 2011",, chem_comp,chem_comp_HEM,4038,192689,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,NON-POLYMER,HEM,HEM,yes,2012-11-20,2012-11-20,REL,,MHM,,HEM,75,43,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,,, chem_comp,chem_comp_CMO,4038,192690,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,2012-11-20,2012-11-20,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_CA,4041,192733,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SF4,4042,192748,SF4,PDB,IRON/SULFUR CLUSTER,NON-POLYMER,SF4,SF4,yes,2012-04-05,2012-04-05,REL,,FS4,,SF4,8,8,,,,InChI=1/4Fe.4S/rFe4S4/c1-5-2-6(1)4-7(1)3(5)8(2)4,,,,,,,,,,,,0,,no,Fe4 S4,351.640,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_FCB,4049,192850,FCB,PDB,BETA-D-FUCOSE,D-SACCHARIDE,FCB,FCB,no,1999-07-08,2011-12-14,REL,,,,FCB,23,11,,,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1",,,,,,,,,,,,0,,no,C6 H12 O5,164.156,,,,,,,,,,,,,,,,,no,,no,1ABF,RCSB,,,,, chem_comp,chem_comp_FE2,4050,192881,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:21:09 2011",, chem_comp,chem_comp_FE,4051,192896,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:30:25 2011",, chem_comp,chem_comp_CA,4053,192931,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:45:10 2011",, chem_comp,chem_comp_THP,4053,192932,THP,PDB,"THYMIDINE-3',5'-DIPHOSPHATE",NON-POLYMER,THP,THP,no,2012-11-20,2012-11-20,REL,,PTP,,THP,41,25,,,,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",,,,,,,,,,,,0,,no,C10 H16 N2 O11 P2,402.188,,,,,,,,,,,,,,,,,no,,no,1STG,EBI,,,,, chem_comp,chem_comp_WW7,4056,192982,WW7,,N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE,non-polymer,,WW7,no,1999-07-08,2011-06-04,REL,,,,WW7,,,,,,,,,,,,,,,,,,0,,yes,C16 H21 Cl N2 O2 S,340.868,,,,,,,,,,,,,,,,,no,,no,1MUX,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:52:26 2011",, chem_comp,chem_comp_PP9,4061,193052,PP9,PDB,PROTOPORPHYRIN IX,NON-POLYMER,PP9,PP9,no,1999-07-08,2011-12-14,REL,,,,PP9,76,42,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,,0,,yes,C34 H34 N4 O4,562.658,,,,,,,,,,,,,,,,,no,not provided,yes,1HRS,RCSB,,,,, chem_comp,chem_comp_CMO,4061,193053,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,1999-07-08,2011-12-14,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_PP9,4062,193071,PP9,PDB,PROTOPORPHYRIN IX,NON-POLYMER,PP9,PP9,no,1999-07-08,2011-12-14,REL,,,,PP9,76,42,,,,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",,,,,,,,,,,,0,,yes,C34 H34 N4 O4,562.658,,,,,,,,,,,,,,,,,no,not provided,yes,1HRS,RCSB,,,,, chem_comp,chem_comp_CMO,4062,193072,CMO,PDB,CARBON MONOXIDE,NON-POLYMER,CMO,CMO,no,1999-07-08,2011-12-14,REL,,,,CMO,2,2,,,,InChI=1S/CO/c1-2,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,EBI,,,,, chem_comp,chem_comp_FE,4066,193131,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:30:25 2011",, chem_comp,chem_comp_NH2,470,204863,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,4067,193147,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:29:48 2011",, chem_comp,chem_comp_PGA,407,193204,PGA,PDB,2-PHOSPHOGLYCOLIC ACID,NON-POLYMER,PGA,PGA,no,1999-07-08,2011-12-14,REL,,2PL,,PGA,14,9,,,,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",,,,,,,,,,,,0,,no,C2 H5 O6 P,156.031,,,,,,,,,,,,,,,,,no,,no,1AMK,RCSB,,,,, chem_comp,chem_comp_NH2,407,193205,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PCA,4071,193235,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:29:48 2011",, chem_comp,chem_comp_FE,4073,193267,FE,PDB,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:30:25 2011",, chem_comp,chem_comp_FE,4074,193291,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 10:30:25 2011",, chem_comp,chem_comp_HIA,408,193368,HIA,PDB,L-HISTIDINE AMIDE,L-PEPTIDE LINKING,HIA,HIA,no,2003-10-31,2011-12-14,REL,,,H,HIA,21,11,,,,"InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1",,,,,HIS,,,,,,L-HISTIDINAMIDE,0,,yes,C6 H10 N4 O,154.170,,,,,,,,,,,,,,,,,no,,no,1URL,EBI,,,,, chem_comp,chem_comp_MG,4083,193432,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 09:23:39 2011",, chem_comp,chem_comp_NH2,4088,193511,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:32:02 2011",, chem_comp,chem_comp_NI,4089,193526,NI,,NICKEL (II) ION,non-polymer,,NI,no,1999-07-08,2011-06-04,REL,,,,NI,,,,,,,,,,,,,,,,,,2,,no,Ni,58.693,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 15 15:20:30 2012",, chem_comp,chem_comp_ACE,4099,193675,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4099,193676,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,4099,193677,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,aKeto_R,410,193707,aKeto_R,,alpha-keto-arginine,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,4102,193745,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4105,193797,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SAC,4129,194185,SAC,,N-ACETYL-SERINE,L-PEPTIDE LINKING,,SAC,no,1999-07-08,2011-06-04,REL,,,S,SAC,,,,,,,,,,,SER,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1EVU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:12:29 2011",, chem_comp,chem_comp_CA,4129,194186,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_HEC,4130,194218,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,no,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,4131,194234,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_FE2,4137,194332,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:51:02 2011",, chem_comp,chem_comp_PCA,4138,194349,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PLM,4142,194423,PLM,,PALMITIC ACID,non-polymer,,PLM,no,1999-07-08,2011-06-04,REL,,"FAT,PLY",,PLM,,,,,,,,,,,,,,,,,,0,,no,C16 H32 O2,256.424,,,,,,,,,,,,,,,,,no,,no,1LIE,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 14:28:11 2011",, chem_comp,chem_comp_FME,4146,194486,FME,,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,,FME,no,1999-07-08,2011-06-04,REL,,,M,FME,,,,,,,,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 14:41:51 2011",, chem_comp,chem_comp_GA,4149,194531,GA,PDB,GALLIUM (III) ION,NON-POLYMER,GA,GA,no,1999-07-08,2011-12-14,REL,,,,GA,1,1,,,,InChI=1S/Ga/q+3,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FME,4151,194581,FME,PDB,N-FORMYLMETHIONINE,L-PEPTIDE LINKING,,FME,no,1999-07-08,2011-06-04,REL,,,M,FME,,,,,,,,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 14:41:51 2011",, chem_comp,chem_comp_NVA,4153,194613,NVA,PDB,NORVALINE,L-PEPTIDE LINKING,,NVA,no,1999-07-08,2011-06-04,REL,,2PI,V,NVA,,,,,,,,,,,VAL,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1B6H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 15:41:50 2011",, chem_comp,chem_comp_ZN,4153,194614,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 15:46:38 2011",, chem_comp,chem_comp_FES,4154,194634,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 11:26:54 2011",, chem_comp,chem_comp_PCA,4155,194651,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:19:33 2011",, chem_comp,chem_comp_SIN,4164,194819,SIN,PDB,SUCCINIC ACID,NON-POLYMER,SIN,SIN,no,1999-07-08,2011-12-14,REL,,,,SIN,14,8,,,,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H6 O4,118.088,,,,,,,,,,,,,,,,,no,Corina,no,3BIF,RCSB,,,,, chem_comp,chem_comp_ORN,4164,194820,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,1999-07-08,2011-12-14,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_BHD,4164,194821,BHD,PDB,(3S)-3-hydroxy-L-aspartic acid,L-PEPTIDE LINKING,BHD,BHD,no,2012-11-20,2012-11-20,REL,,DOH,D,BHD,17,10,,,,"InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1",,,,,ASP,,,,,,BETA-HYDROXYASPARTIC ACID,0,,no,C4 H7 N O5,149.102,,,,,,,,,,,,,,,,,no,Corina,no,1ERM,RCSB,,,,, chem_comp,chem_comp_DAB,4164,194822,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,1999-07-08,2011-12-14,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_ONH,4164,194823,ONH,PDB,N~5~-hydroxy-L-ornithine,L-PEPTIDE LINKING,ONH,ONH,no,2011-06-02,2011-12-14,REL,,,A,ONH,22,10,,,,"InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O3,148.160,,,,,,,,,,,,,,,,,no,Corina,no,3S5W,RCSB,,,,, chem_comp,chem_comp_CHR,4164,194824,CHR,PDB,NEOCARZINOSTATIN-CHROMOPHORE,NON-POLYMER,CHR,CHR,no,1999-07-08,2011-12-14,REL,,,,CHR,81,48,,,,"InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1",,,,,,,,,,,NCS-CHROMOPHORE,0,,yes,C35 H33 N O12,659.636,,,,,,,,,,,,,,,,,no,,no,1NCO,EBI,,,,, chem_comp,chem_comp_GA,4164,194825,GA,PDB,GALLIUM (III) ION,NON-POLYMER,GA,GA,no,1999-07-08,2011-12-14,REL,,,,GA,1,1,,,,InChI=1S/Ga/q+3,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4166,194863,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4167,194883,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SIN,4169,194916,SIN,PDB,SUCCINIC ACID,NON-POLYMER,SIN,SIN,no,1999-07-08,2011-12-14,REL,,,,SIN,14,8,,,,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H6 O4,118.088,,,,,,,,,,,,,,,,,no,Corina,no,3BIF,RCSB,,,,, chem_comp,chem_comp_ORN,4169,194917,ORN,PDB,L-ornithine,L-PEPTIDE LINKING,ORN,ORN,no,1999-07-08,2011-12-14,REL,,,A,ORN,21,9,,,,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_BHD,4169,194918,BHD,PDB,(3S)-3-hydroxy-L-aspartic acid,L-PEPTIDE LINKING,BHD,BHD,no,2012-11-20,2012-11-20,REL,,DOH,D,BHD,17,10,,,,"InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1",,,,,ASP,,,,,,BETA-HYDROXYASPARTIC ACID,0,,no,C4 H7 N O5,149.102,,,,,,,,,,,,,,,,,no,Corina,no,1ERM,RCSB,,,,, chem_comp,chem_comp_DAB,4169,194919,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,DAB,DAB,no,1999-07-08,2011-12-14,REL,,,A,DAB,18,8,,,,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,,, chem_comp,chem_comp_ONH,4169,194920,ONH,PDB,N~5~-hydroxy-L-ornithine,L-PEPTIDE LINKING,ONH,ONH,no,2011-06-02,2011-12-14,REL,,,A,ONH,22,10,,,,"InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H12 N2 O3,148.160,,,,,,,,,,,,,,,,,no,Corina,no,3S5W,RCSB,,,,, chem_comp,chem_comp_CHR,4169,194921,CHR,PDB,NEOCARZINOSTATIN-CHROMOPHORE,NON-POLYMER,CHR,CHR,no,1999-07-08,2011-12-14,REL,,,,CHR,81,48,,,,"InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1",,,,,,,,,,,NCS-CHROMOPHORE,0,,yes,C35 H33 N O12,659.636,,,,,,,,,,,,,,,,,no,,no,1NCO,EBI,,,,, chem_comp,chem_comp_IGU,4170,194951,IGU,,2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE,DNA LINKING,,IGU,no,1999-07-08,2011-06-04,REL,,,G,IGU,,,,,,,,,,,DG,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,yes,,no,1BHR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:10:38 2011",, chem_comp,chem_comp_HAI,4173,195008,HAI,PDB,CYCLOHEXYLAMMONIUM ION,NON-POLYMER,HAI,HAI,no,1999-07-08,2011-12-14,REL,,,,HAI,21,7,,,,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1",,,,,,,,,,,,1,,no,C6 H14 N,100.182,,,,,,,,,,,,,,,,,no,,no,1EJD,PDBJ,,,,, chem_comp,chem_comp_ZN,4173,195009,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_MG,4174,195035,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_FES,4181,195152,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 16:15:04 2011",, chem_comp,chem_comp_FE2,4182,195173,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:51:02 2011",, chem_comp,chem_comp_CA,4184,195205,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,4185,195240,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 13:52:53 2011",, chem_comp,chem_comp_HEC,4189,195312,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:03:01 2011",, chem_comp,chem_comp_PCA,4190,195345,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 13:52:53 2011",, chem_comp,chem_comp_PCA,4191,195359,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 13:52:53 2011",, chem_comp,chem_comp_3NF,4192,195373,3NF,,N-acetyl-L-tyrosine,L-PEPTIDE LINKING,,3NF,no,2010-06-11,2011-06-04,REL,,,Y,3NF,,,,,,,,,,,TYR,,,,,,,0,,yes,C11 H13 N O4,223.225,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:20:57 2011",, chem_comp,chem_comp_GM1,4192,195374,GM1,,AMINOMETHYLAMIDE,non-polymer,,GM1,no,1999-07-08,2011-06-04,REL,,,,GM1,,,,,,,,,,,,,,,,,GLYCINAMID,0,,no,C2 H6 N2 O,74.082,,,,,,,,,,,,,,,,,no,,no,1JAO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:23:20 2011",, chem_comp,chem_comp_AP5,4193,195390,AP5,,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,non-polymer,,AP5,no,1999-07-08,2011-06-04,REL,,,,AP5,,,,,,,,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 09:15:41 2011",, chem_comp,chem_comp_DPR,4194,195418,DPR,,D-PROLINE,D-Peptide Linking,,DPR,no,1999-07-08,2011-06-04,REL,,,P,DPR,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 09:36:06 2011",, chem_comp,chem_comp_NH2,4194,195419,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 17:31:31 2011",, chem_comp,chem_comp_ACE,420,195520,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,420,195521,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,4200,195537,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4200,195538,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ABA,4201,195557,ABA,,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 10:58:53 2011",, chem_comp,chem_comp_CU,4202,195575,CU,PDB,COPPER (II) ION,NON-POLYMER,CU,CU,no,1999-07-08,2011-12-14,REL,,,,CU,1,1,,,,InChI=1S/Cu/q+2,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,4203,195595,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:32:02 2011",, chem_comp,chem_comp_3NF,4203,195596,3NF,PDB,N-acetyl-L-tyrosine,L-peptide linking,,3NF,no,2010-06-11,2011-06-04,REL,,,Y,3NF,,,,,,,,,,,TYR,,,,,,,0,,yes,C11 H13 N O4,223.225,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:04:33 2011",, chem_comp,chem_comp_SET,4203,195597,SET,PDB,AMINOSERINE,L-peptide linking,,SET,no,1999-07-08,2011-06-04,REL,,,S,SET,,,,,,,,,,,SER,,,,,,,0,,no,C3 H8 N2 O2,104.108,,,,,,,,,,,,,,,,,no,,no,1A7C,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:07:59 2011",, chem_comp,chem_comp_HEM,4208,195702,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:47:45 2011",, chem_comp,chem_comp_AAC,4212,195797,AAC,PDB,ACETYLAMINO-ACETIC ACID,non-polymer,,AAC,no,1999-07-16,2011-06-04,REL,,,,AAC,,,,,,,,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:40:42 2011",, chem_comp,chem_comp_DSN,4213,195810,DSN,,D-SERINE,D-peptide linking,,DSN,no,1999-07-08,2011-06-04,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:48:02 2011",, chem_comp,chem_comp_DGN,4213,195811,DGN,,D-GLUTAMINE,D-peptide linking,,DGN,no,1999-07-08,2011-06-04,REL,,,Q,DGN,,,,,,,,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:49:35 2011",, chem_comp,chem_comp_DVA,4213,195812,DVA,,D-VALINE,D-peptide linking,,DVA,no,1999-07-08,2011-06-04,REL,,,V,DVA,,,,,,,,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,no,,no,1A7Y,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:52:13 2011",, chem_comp,chem_comp_DAR,4213,195813,DAR,,D-ARGININE,D-peptide linking,,DAR,no,1999-07-08,2011-06-04,REL,,,R,DAR,,,,,,,,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:53:57 2011",, chem_comp,chem_comp_DAS,4213,195814,DAS,,D-ASPARTIC ACID,D-peptide linking,,DAS,no,1999-07-08,2011-06-04,REL,,DSP,D,DAS,,,,,,,,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 11:59:20 2011",, chem_comp,chem_comp_DPN,4213,195815,DPN,,D-PHENYLALANINE,D-peptide linking,,DPN,no,1999-07-08,2011-06-04,REL,,,,DPN,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O2,165.189,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 12:00:47 2011",, chem_comp,chem_comp_DLE,4213,195816,DLE,,D-LEUCINE,D-peptide linking,,DLE,no,1999-07-08,2011-06-04,REL,,,L,DLE,,,,,,,,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1GMK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 12:02:43 2011",, chem_comp,chem_comp_DAL,4213,195817,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 12:04:02 2011",, chem_comp,chem_comp_DPR,4213,195818,DPR,,D-PROLINE,D-peptide linking,,DPR,no,1999-07-08,2011-06-04,REL,,,P,DPR,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O2,115.130,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 12:05:25 2011",, chem_comp,chem_comp_NH2,4213,195819,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:32:02 2011",, chem_comp,chem_comp_LML,4213,195820,LML,,ISOBUTYL MALONIC ACID,non-polymer,,LML,no,1999-07-08,2011-06-04,REL,,,,LML,,,,,,,,,,,,,,,,,,0,,no,C7 H12 O4,160.168,,,,,,,,,,,,,,,,,no,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 12:15:01 2011",, chem_comp,chem_comp_NH2,4218,195899,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:32:02 2011",, chem_comp,chem_comp_CA,4219,195914,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 12:16:23 2011",, chem_comp,chem_comp_CY3,422,195932,CY3,PDB,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-PEPTIDE LINKING,CY3,CY3,no,1999-10-22,2011-12-14,REL,,,C,CY3,15,7,,,,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,,, chem_comp,chem_comp_GSH,4225,196034,GSH,PDB,GLUTATHIONE,NON-POLYMER,GSH,GSH,no,2014-04-23,2014-04-23,REL,,GTT,,GSH,37,20,,,,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",,,,,,,,,,,,0,,no,C10 H17 N3 O6 S,307.323,,,,,,,,,,,,,,,,,no,Corina,no,1DUG,RCSB,,,,, chem_comp,chem_comp_SF4,4229,196107,SF4,PDB,IRON/SULFUR CLUSTER,NON-POLYMER,SF4,SF4,yes,2012-11-20,2012-11-20,REL,,FS4,,SF4,8,8,,,,InChI=1/4Fe.4S/rFe4S4/c1-5-2-6(1)4-7(1)3(5)8(2)4,,,,,,,,,,,,0,,no,Fe4 S4,351.640,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CY3,423,196125,CY3,PDB,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-PEPTIDE LINKING,CY3,CY3,no,1999-10-22,2011-12-14,REL,,,C,CY3,15,7,,,,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,,, chem_comp,chem_comp_ASH,4230,196142,ASH,PDB,"3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine",NON-POLYMER,ASH,ASH,no,2010-08-03,2011-12-14,REL,,,,ASH,48,29,,,,"InChI=1S/C21H19ClN6O/c22-19-13-24-21-20(26-18(14-28(19)21)15-2-1-7-23-12-15)25-16-3-5-17(6-4-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,26)",,,,,,,,,,,,0,,yes,C21 H19 Cl N6 O,406.868,,,,,,,,,,,,,,,,,no,Corina,no,2XNE,EBI,,,,, chem_comp,chem_comp_NTH,4230,196143,NTH,PDB,"SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER",NON-POLYMER,NTH,NTH,no,1999-07-08,2011-12-14,REL,,,,NTH,57,27,,,,"InChI=1S/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+,22-/m0/s1",,,,,,,,,,,,0,,no,C22 H30 O5,374.471,,,,,,,,,,,,,,,,,no,,no,1BUQ,RCSB,,,,, chem_comp,chem_comp_SF4,4231,196160,SF4,PDB,IRON/SULFUR CLUSTER,NON-POLYMER,SF4,SF4,yes,2012-11-20,2012-11-20,REL,,FS4,,SF4,8,8,,,,InChI=1/4Fe.4S/rFe4S4/c1-5-2-6(1)4-7(1)3(5)8(2)4,,,,,,,,,,,,0,,no,Fe4 S4,351.640,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NAP,4236,196251,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,1999-07-08,2011-12-14,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,no,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,ABP,4240,196314,ABP,,ABP,non-polymer,,,,,,,,,,,,,,,,,,,,,,,deoxyadenosine,,,,,,no,,,,,,,,,,,,,,,,,,,,,,,,,,,"ABP is the modified nucleotide adduct derived from the trans addition of the exocyclic N6-amino group of deoxyadenosine to (+)-(7R,8S,9S,!0R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene.",, chem_comp,chem_comp_ATD,4244,196405,ATD,PDB,THYMIDINE-3'-PHOSPHATE,DNA LINKING,ATD,ATD,no,2012-11-20,2012-11-20,REL,,,T,ATD,36,21,,,,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m0/s1",,,,,DT,,,,,,,0,,no,C10 H15 N2 O8 P,322.208,,,,,,,,,,,,,,,,,no,,no,1BX5,RCSB,,,,, chem_comp,chem_comp_ZN,4249,196530,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:20:29 2011",, chem_comp,chem_comp_LPD,4260,196740,LPD,,L-PROLINAMIDE,L-peptide linking,,LPD,no,2006-08-24,2011-06-04,REL,,,P,LPD,,,,,,,,,,,PRO,,,,,,,0,,no,C5 H10 N2 O,114.146,,,,,,,,,,,,,,,,,no,,no,2H9E,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:34:38 2011",, chem_comp,chem_comp_NAG,4260,196741,NAG,,N-ACETYL-D-GLUCOSAMINE,D-saccharide,,NAG,no,1999-07-08,2011-06-04,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:27:27 2011",, chem_comp,chem_comp_NAG,4261,196760,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,NAG,NAG,no,1999-07-08,2011-12-14,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,no,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_TMQ,4262,196776,TMQ,,TRIMETREXATE,non-polymer,,TMQ,no,1999-07-08,2011-06-04,REL,,,,TMQ,,,,,,,,,,,,,,,,,,1,,yes,C19 H24 N5 O3,370.426,,,,,,,,,,,,,,,,,no,,no,1BZF,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 10:35:50 2011",, chem_comp,chem_comp_PTR,4263,196804,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:53:56 2011",, chem_comp,chem_comp_F3S,4268,196929,F3S,PDB,FE3-S4 CLUSTER,NON-POLYMER,F3S,F3S,yes,2012-11-20,2012-11-20,REL,,FS3,,F3S,7,7,,,,InChI=1/3Fe.4S/rFe3S4/c4-1-5-3-6-2(4)7(1)3,,,,,,,,,,,,0,,no,Fe3 S4,295.795,,,,,,,,,,,,,,,,,no,,no,1FXD,RCSB,,,,, chem_comp,chem_comp_SF4,4268,196930,SF4,PDB,IRON/SULFUR CLUSTER,NON-POLYMER,SF4,SF4,yes,2012-11-20,2012-11-20,REL,,FS4,,SF4,8,8,,,,InChI=1/4Fe.4S/rFe4S4/c1-5-2-6(1)4-7(1)3(5)8(2)4,,,,,,,,,,,,0,,no,Fe4 S4,351.640,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_CA,4270,196974,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,no,,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4271,196991,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:49:01 2011",, chem_comp,chem_comp_AMH,4276,197059,AMH,PDB,TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID,non-polymer,,AMH,no,1999-07-08,2011-06-04,REL,,,,AMH,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O2,157.210,,,,,,,,,,,,,,,,,no,,no,1CEB,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:56:20 2011",, chem_comp,chem_comp_NH2,4279,197105,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 10:32:06 2011",, chem_comp,chem_comp_PCA,428,197121,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4284,197228,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_PCA,429,197349,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,4291,197382,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_PCA,430,197560,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AMPPCP,4300,197576,AMPPCP,,beta gamma-methyleneadenosine 5'triphosphate,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C11H16N5O12P3Na2,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_MG,4300,197577,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,1999-07-08,2011-12-14,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,4306,197671,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:29:39 2011",, chem_comp,chem_comp_CA,4310,197760,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011",, chem_comp,chem_comp_NI,4313,197818,NI,,NICKEL (II) ION,non-polymer,,NI,no,1999-07-08,2011-06-04,REL,,,,NI,,,,,,,,,,,,,,,,,,2,,no,Ni,58.693,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 14:44:59 2011",, chem_comp,chem_comp_FE,4315,197861,FE,PDB,FE (III) ION,NON-POLYMER,FE,FE,no,1999-07-08,2011-12-14,REL,,,,FE,1,1,,,,InChI=1S/Fe/q+3,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_FE,4319,197952,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:18:51 2011",, chem_comp,chem_comp_FE2,4320,197991,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:47:36 2011",, chem_comp,chem_comp_COA,4321,198015,COA,PDB,COENZYME A,NON-POLYMER,COA,COA,no,1999-07-08,2011-12-14,REL,,,,COA,84,48,,,,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",,,,,,,,,,,,0,,yes,C21 H36 N7 O16 P3 S,767.534,,,,,,,,,,,,,,,,,no,,no,1H16,EBI,,,,, chem_comp,chem_comp_NAP,4329,198144,NAP,PDB,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,NON-POLYMER,NAP,NAP,no,1999-07-08,2011-12-14,REL,,,,NAP,76,48,,,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,,, chem_comp,chem_comp_CA,4332,198209,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HOH,4332,198210,HOH,,WATER,non-polymer,,HOH,no,1999-07-08,2011-06-04,REL,,MTO,,HOH,,,,,,,,,,,,,,,,,,0,,no,H2 O,18.015,,,,,,,,,,,,,,,,,no,,no,1NHE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:57:56 2011",, chem_comp,chem_comp_CA,4335,198255,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_S-AMDHP,4336,198286,S-AMDHP,,S-aminomethyldihydrolipoate,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,no,,,,,,,,,,,,,,,,,,,,,,,,,,"lipoate is loaded with methylamine -CO-CH2-CH2-CH2-CH2-CH(SH)-CH2-CH2-S-CH2-NH3",, chem_comp,chem_comp_LPA,4337,198310,LPA,,LIPOIC ACID,non-polymer,,LPA,no,1999-07-08,2011-06-04,REL,,,,LPA,,,,,,,,,,,,,,,,,,0,,no,C8 H14 O2 S2,206.326,,,,,,,,,,,,,,,,,no,,no,1HPC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 14:13:28 2011",, chem_comp,chem_comp_ACE,4347,198540,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:15:33 2011",, chem_comp,chem_comp_NH2,4347,198541,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_NPO,4349,198584,NPO,,P-NITROPHENOL,non-polymer,,NPO,no,1999-07-08,2011-06-04,REL,,,,NPO,,,,,,,,,,,,,,,,,,0,,yes,C6 H5 N O3,139.109,,,,,,,,,,,,,,,,,no,,no,1YEK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:35:50 2011",, chem_comp,chem_comp_BCD,4354,198694,BCD,,BETA-CYCLODEXTRIN,SACCHARIDE,,BCD,no,1999-07-08,2011-06-04,REL,,,,BCD,,,,,,,,,,,,,,,,,CYCLO-HEPTA-AMYLOSE,0,,no,C42 H70 O35,1134.984,,,,,,,,,,,,,,,,,no,,no,1DMB,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 17:08:06 2011",, chem_comp,chem_comp_AAC,436,198794,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,436,198795,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_1GL,4361,198831,1GL,PDB,"4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-SACCHARIDE,1GL,1GL,no,2012-11-20,2012-11-20,REL,,BRI,,1GL,25,11,,,,"InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1",,,,,,,,,,,,0,,no,C7 H14 O4,162.184,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,,, chem_comp,chem_comp_2GL,4361,198832,2GL,PDB,"4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-SACCHARIDE,2GL,2GL,no,2013-07-26,2013-07-26,REL,,,,2GL,27,13,,,,"InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H14 O5,190.194,,,,,,,,,,,,,,,,,no,Corina,no,1EKH,PDBJ,,,,, chem_comp,chem_comp_1AR,4361,198833,1AR,PDB,"4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE",L-SACCHARIDE,1AR,1AR,no,2012-11-20,2012-11-20,REL,,,,1AR,30,14,,,,"InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1",,,,,,,,,,,,0,,no,C9 H16 O5,204.220,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DDA,4361,198834,DDA,PDB,"2,6-DIDEOXY-BETA-D-GLUCOSE",D-SACCHARIDE,DDA,DDA,no,2013-07-27,2013-07-27,REL,,,,DDA,22,10,,,,"InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1",,,,,,,,,,,"2,6-DIDEOXY-BETA-D-MANNOSE",0,,no,C6 H12 O4,148.157,,,,,,,,,,,,,,,,,no,Corina,no,1EKH,RCSB,,,,, chem_comp,chem_comp_DXB,4361,198835,DXB,PDB,"1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE",NON-POLYMER,DXB,DXB,no,2012-11-20,2012-11-20,REL,,,,DXB,52,28,,,,"InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13+,18-,21-/m0/s1",,,,,,,,,,,,0,,yes,C21 H24 O7,388.411,,,,,,,,,,,,,,,,,no,,no,1BP8,RCSB,,,,, chem_comp,chem_comp_CO,4361,198836,CO,PDB,COBALT (II) ION,NON-POLYMER,CO,CO,no,2012-11-20,2012-11-20,REL,,,,CO,1,1,,,,InChI=1S/Co/q+2,,,,,,,,,,,,2,,no,Co,58.933,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_1GL,4362,198855,1GL,PDB,"4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-SACCHARIDE,1GL,1GL,no,2012-11-20,2012-11-20,REL,,BRI,,1GL,25,11,,,,"InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1",,,,,,,,,,,,0,,no,C7 H14 O4,162.184,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,,, chem_comp,chem_comp_2GL,4362,198856,2GL,PDB,"4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-SACCHARIDE,2GL,2GL,no,2013-07-26,2013-07-26,REL,,,,2GL,27,13,,,,"InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1",,,,,,,,,,,,0,,no,C8 H14 O5,190.194,,,,,,,,,,,,,,,,,no,Corina,no,1EKH,PDBJ,,,,, chem_comp,chem_comp_1AR,4362,198857,1AR,PDB,"4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE",L-SACCHARIDE,1AR,1AR,no,2012-11-20,2012-11-20,REL,,,,1AR,30,14,,,,"InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1",,,,,,,,,,,,0,,no,C9 H16 O5,204.220,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DDA,4362,198858,DDA,PDB,"2,6-DIDEOXY-BETA-D-GLUCOSE",D-SACCHARIDE,DDA,DDA,no,2013-07-27,2013-07-27,REL,,,,DDA,22,10,,,,"InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1",,,,,,,,,,,"2,6-DIDEOXY-BETA-D-MANNOSE",0,,no,C6 H12 O4,148.157,,,,,,,,,,,,,,,,,no,Corina,no,1EKH,RCSB,,,,, chem_comp,chem_comp_DXB,4362,198859,DXB,PDB,"1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE",NON-POLYMER,DXB,DXB,no,2012-11-20,2012-11-20,REL,,,,DXB,52,28,,,,"InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13+,18-,21-/m0/s1",,,,,,,,,,,,0,,yes,C21 H24 O7,388.411,,,,,,,,,,,,,,,,,no,,no,1BP8,RCSB,,,,, chem_comp,chem_comp_ZN,4362,198860,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CD,4363,198876,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 14:32:25 2011",, chem_comp,chem_comp_PNU,4364,198900,PNU,,"6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE",non-polymer,,PNU,no,2001-05-22,2011-06-04,REL,,,,PNU,,,,,,,,,,,,,,,,,,0,,yes,C13 H11 Cl N4 O S,306.771,,,,,,,,,,,,,,,,,no,,no,1IKX,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 14:49:51 2011",, chem_comp,chem_comp_PNU,4365,198919,PNU,PDB,"6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE",NON-POLYMER,PNU,PNU,no,2001-05-22,2011-12-14,REL,,,,PNU,31,20,,,,"InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1",,,,,,,,,,,,0,,yes,C13 H11 Cl N4 O S,306.771,,,,,,,,,,,,,,,,,no,,no,1IKX,RCSB,,,,, chem_comp,chem_comp_PNU,4366,198940,PNU,PDB,"6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE",NON-POLYMER,PNU,PNU,no,2001-05-22,2011-12-14,REL,,,,PNU,31,20,,,,"InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1",,,,,,,,,,,,0,,yes,C13 H11 Cl N4 O S,306.771,,,,,,,,,,,,,,,,,no,,no,1IKX,RCSB,,,,, chem_comp,chem_comp_AAC,437,199020,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_CU1,4414,199949,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 11:29:23 2011",, chem_comp,chem_comp_HEC,437,199021,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,4378,199182,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:18:35 2011",, chem_comp,chem_comp_AAC,438,199225,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,438,199226,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,4380,199241,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,4382,199277,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:29:39 2011",, chem_comp,chem_comp_E2P,4383,199294,E2P,,PROSTAGLANDIN B2,non-polymer,,E2P,no,2000-09-08,2011-06-04,REL,,,,E2P,,,,,,,,,,,,,,,,,,0,,no,C20 H30 O4,334.450,,,,,,,,,,,,,,,,,no,,no,1CZ2,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:06:10 2011",, chem_comp,chem_comp_HEC,439,199430,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AR1,4392,199472,AR1,PDB,(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM,NON-POLYMER,AR1,AR1,no,2012-11-20,2012-11-20,REL,,,,AR1,63,35,,,,"InChI=1S/C20H27N11O4/c1-28(2)7-6-21-18(33)15-24-13(9-30(15)4)26-20(35)17-25-14(10-31(17)5)27-19(34)16-23-12(22-11-32)8-29(16)3/h8-11H,6-7H2,1-5H3,(H,21,33)(H,22,32)(H,26,35)(H,27,34)/p+1",,,,,,,,,,,TRI-IMIDAZOLE DNA MINOR GROOVE BINDER; AR-1-144,1,,yes,C20 H28 N11 O4,486.508,,,,,,,,,,,,,,,,,no,,no,1CYZ,RCSB,,,,, chem_comp,chem_comp_ACE,4398,199575,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4398,199576,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,4399,199591,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_HYP,4406,199764,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 14:23:16 2011",, chem_comp,chem_comp_DTR,4406,199765,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 15:49:57 2011",, chem_comp,chem_comp_NH2,4406,199766,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 10:32:06 2011",, chem_comp,chem_comp_HYP,4408,199804,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 15:57:54 2011",, chem_comp,chem_comp_DTR,4408,199805,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 15:49:57 2011",, chem_comp,chem_comp_NH2,4408,199806,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 10:32:06 2011",, chem_comp,chem_comp_64T,4409,199823,64T,PDB,5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE,DNA LINKING,64T,64T,no,2012-11-20,2012-11-20,REL,,,T,64T,39,22,,,,"InChI=1S/C10H17N2O9P/c1-10(16)4-12(9(15)11-8(10)14)7-2-5(13)6(21-7)3-20-22(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1",,,,,DT,,,,,,,0,,no,C10 H17 N2 O9 P,340.224,,,,,,,,,,,,,,,,,yes,,no,1KEG,RCSB,,,,, chem_comp,chem_comp_TA3,4409,199824,TA3,PDB,"(4S,5R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-1,3-DIAZABICYCLO[2.2.0]HEXAN-2-ONE",DNA LINKING,TA3,TA3,no,2012-11-20,2012-11-20,REL,,,T,TA3,37,20,,,,"InChI=1S/C10H17N2O7P/c1-5-3-11-9(5)12(10(11)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h5-9,13H,2-4H2,1H3,(H2,15,16,17)/t5-,6+,7-,8-,9+/m1/s1",,,,,DT,,,,,,,0,,no,C10 H17 N2 O7 P,308.225,,,,,,,,,,,,,,,,,no,,yes,1QKG,RCSB,,,,, chem_comp,chem_comp_PBT,4412,199897,PBT,PDB,"[3-HYDROXY-5-(5-METHYL-2,4-DIOXOTETRAHYDRO-1(2H)-PYRIMIDINYL)TETRAHYDRO-2-FURANYL]METHYL DIHYDROGEN PHOSPHATE",DNA LINKING,PBT,PBT,no,2012-11-20,2012-11-20,REL,,,N,PBT,38,21,,,,"InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C10 H17 N2 O8 P,324.224,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,,, chem_comp,chem_comp_SEP,4476,201395,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,1999-07-08,2011-12-14,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_TTD,4415,199968,TTD,PDB,CIS-SYN CYCLOBUTANE THYMINE DIMER,DNA LINKING,TTD,TTD,no,2012-11-20,2012-11-20,REL,,,T,TTD,69,41,,,,"InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1",,,,,DT,,,,,,"[(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOXY-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE",0,,no,C20 H28 N4 O15 P2,626.402,,,,,,,,,,,,,,,,,yes,,no,1SKS,PDBJ,,,,, chem_comp,chem_comp_NH2,4420,200101,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 12:36:17 2011",, chem_comp,chem_comp_ZN,4423,200152,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 12:44:35 2011",, chem_comp,chem_comp_BTN,4426,200234,BTN,PDB,BIOTIN,NON-POLYMER,BTN,BTN,no,1999-07-08,2011-12-14,REL,,,,BTN,32,16,,,,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",,,,,,,,,,,,0,,no,C10 H16 N2 O3 S,244.311,,,,,,,,,,,,,,,,,no,,no,1DF8,RCSB,,,,, chem_comp,chem_comp_HEC,4435,200451,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 13:27:32 2011",, chem_comp,chem_comp_HEC,4436,200474,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 13:27:32 2011",, chem_comp,chem_comp_FES,4439,200560,FES,PDB,FE2/S2 (INORGANIC) CLUSTER,NON-POLYMER,FES,FES,no,2012-11-20,2012-11-20,REL,,,,FES,4,4,,,,InChI=1S/2Fe.2S,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,,, chem_comp,chem_comp_FES,4441,200603,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:04:10 2011",, chem_comp,chem_comp_FES,4442,200618,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:04:10 2011",, chem_comp,chem_comp_ALY,4444,200653,ALY,,N(6)-ACETYLLYSINE,L-peptide linking,,ALY,no,2000-08-18,2011-06-04,REL,,,K,ALY,,,,,,,,,,,LYS,,,,,,,0,,no,C8 H16 N2 O3,188.224,,,,,,,,,,,,,,,,,no,,no,1E6I,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:13:56 2011",, chem_comp,chem_comp_FES,4444,200654,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:04:10 2011",, chem_comp,chem_comp_CD,4462,201085,CD,PDB,CADMIUM ION,NON-POLYMER,CD,CD,no,1999-07-08,2011-12-14,REL,,,,CD,1,1,,,,InChI=1S/Cd/q+2,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HYP,4464,201139,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:04:30 2011",, chem_comp,chem_comp_DTR,4464,201140,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:06:57 2011",, chem_comp,chem_comp_CU1,4465,201157,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:12:40 2011",, chem_comp,chem_comp_CU1,4466,201181,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:12:40 2011",, chem_comp,chem_comp_HYP,4468,201235,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:04:30 2011",, chem_comp,chem_comp_DTR,4468,201236,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:06:57 2011",, chem_comp,chem_comp_HYP,4469,201251,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_DTR,4469,201252,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 11:06:57 2011",, chem_comp,chem_comp_HEM,4471,201302,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 13:17:06 2011",, chem_comp,chem_comp_BF2,4472,201335,BF2,PDB,BERYLLIUM DIFLUORIDE,NON-POLYMER,BF2,BF2,no,1999-07-08,2011-12-14,REL,,,,BF2,3,3,,,,InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2,,,,,,,,,,,,0,,no,Be F2,47.009,,,,,,,,,,,,,,,,,no,,no,4UKD,RCSB,,,,, chem_comp,chem_comp_CA,4475,201379,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011",, chem_comp,chem_comp_SEP,4477,201410,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 13:28:27 2011",, chem_comp,chem_comp_ACE,4483,201452,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4483,201453,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 12:20:53 2011",, chem_comp,chem_comp_64T,4488,201501,64T,PDB,5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE,DNA LINKING,64T,64T,no,2012-11-20,2012-11-20,REL,,,T,64T,39,22,,,,"InChI=1S/C10H17N2O9P/c1-10(16)4-12(9(15)11-8(10)14)7-2-5(13)6(21-7)3-20-22(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1",,,,,DT,,,,,,,0,,no,C10 H17 N2 O9 P,340.224,,,,,,,,,,,,,,,,,yes,,no,1KEG,RCSB,,,,, chem_comp,chem_comp_NH2,449,201517,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,4492,201560,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011",, chem_comp,chem_comp_ZN,4498,201676,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:19:31 2011",, chem_comp,chem_comp_NH2,450,201704,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,4500,201718,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 14:21:55 2011",, chem_comp,chem_comp_NH2,4503,201741,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 10:45:47 2011",, chem_comp,chem_comp_NH2,451,201821,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,4514,201868,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011",, chem_comp,chem_comp_NH2,452,201941,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,4524,201978,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 11:29:19 2011",, chem_comp,chem_comp_PO4,4528,202048,PO4,,PHOSPHATE ION,non-polymer,,PO4,no,1999-07-08,2011-06-04,REL,,IPS,,PO4,,,,,,,,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 11:47:14 2011",, chem_comp,chem_comp_NH2,453,202070,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DUR,4536,202085,DUR,,2'-DEOXYURIDINE,non-polymer,,DUR,no,1999-07-08,2011-06-04,REL,,,,DUR,,,,,,,,,,,,,,,,,,0,,no,C9 H12 N2 O5,228.202,,,,,,,,,,,,,,,,,no,,no,1BDU,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 14:06:26 2011",, chem_comp,chem_comp_NH2,454,202107,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,4541,202134,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 10:45:47 2011",, chem_comp,chem_comp_DU,4542,202152,DU,,2'-DEOXYURIDINE-5'-MONOPHOSPHATE,DNA LINKING,,DU,no,2001-06-01,2011-06-04,REL,,,U,DU,,,,,,,,,,,,,,,,,,0,,no,C9 H13 N2 O8 P,308.182,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 13:33:46 2011",, chem_comp,chem_comp_T3P,4547,202175,T3P,,THYMIDINE-3'-PHOSPHATE,DNA LINKING,,T3P,no,1999-08-26,2011-06-04,REL,,,T,T3P,,,,,,,,,,,DT,,,,,,ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE,0,,no,C10 H15 N2 O8 P,322.208,,,,,,,,,,,,,,,,,no,,no,1CY8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 13:45:00 2011",, chem_comp,chem_comp_NH2,455,202203,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,4552,202253,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_MG,4553,202275,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,1999-07-08,2011-12-14,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_NDP,4554,202304,NDP,,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NDP,no,1999-07-08,2011-06-04,REL,,,,NDP,,,,,,,,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 09:25:37 2011",, chem_comp,chem_comp_ZN,4559,202424,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:19:31 2011",, chem_comp,chem_comp_NH2,456,202450,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_I52,4565,202593,I52,,N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE,non-polymer,,I52,no,2000-12-19,2011-06-04,REL,,,,I52,,,,,,,,,,,,,,,,,SC-74020,0,,yes,C29 H42 N4 O6 S,574.732,,,,,,,,,,,,,,,,,no,,no,1HOV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 09:52:14 2011",, chem_comp,chem_comp_FES,4566,202618,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:07:38 2011",, chem_comp,chem_comp_NH2,457,202695,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,4571,202727,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:19:31 2011",, chem_comp,chem_comp_NOV,4575,202802,NOV,PDB,NOVOBIOCIN,NON-POLYMER,NOV,NOV,no,1999-07-08,2011-12-14,REL,,,,NOV,80,44,,,,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",,,,,,,,,,,"4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside",0,,yes,C31 H36 N2 O11,612.624,,,,,,,,,,,,,,,,,no,Corina,no,1AJ6,RCSB,,,,, chem_comp,chem_comp_A,4576,202824,A,,ADENOSINE-5'-MONOPHOSPHATE,RNA linking,,A,no,1999-07-08,2011-06-04,REL,,,A,A,,,,,,,,,,,,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:34:56 2011",, chem_comp,chem_comp_HEC,4578,202886,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:13:51 2011",, chem_comp,chem_comp_ZN,4579,202915,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,1999-07-08,2011-12-14,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,458,202948,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,459,203142,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_PT5,4592,203196,PT5,,"(1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate",non-polymer,,PT5,no,2009-04-22,2011-06-04,REL,,,,PT5,,,,,,,,,,,,,,,,,"Phosphatidylinositol 4,5-bisphosphate; PtdIns(4,5)P2",0,,no,C47 H85 O19 P3,1047.088,,,,,,,,,,,,,,,,,no,,no,3GPE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:25:34 2011",, chem_comp,chem_comp_NH2,460,203355,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,4600,203370,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:33:36 2011",, chem_comp,chem_comp_DIV,4601,203385,DIV,PDB,D-ISOVALINE,D-PEPTIDE LINKING,DIV,DIV,no,1999-07-08,2011-12-14,REL,,,V,DIV,19,8,,,,"InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,,no,1JOH,EBI,,,,, chem_comp,chem_comp_ACE,4601,203386,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,4601,203387,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,1999-07-08,2011-12-14,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_PHL,4601,203388,PHL,PDB,L-PHENYLALANINOL,L-PEPTIDE LINKING,PHL,PHL,no,1999-07-08,2011-12-14,REL,,,F,PHL,24,11,,,,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,Corina,no,1JOH,RCSB,,,,, chem_comp,chem_comp_HYP,4601,203389,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,1999-07-08,2011-12-14,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_HEM,4602,203409,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 14:00:24 2011",, chem_comp,chem_comp_AIB,4604,203446,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,1999-07-08,2011-12-14,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_DIV,4604,203447,DIV,PDB,D-ISOVALINE,D-PEPTIDE LINKING,DIV,DIV,no,1999-07-08,2011-12-14,REL,,,V,DIV,19,8,,,,"InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1",,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,,no,1JOH,EBI,,,,, chem_comp,chem_comp_ACE,4604,203448,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_TPL,4604,203449,TPL,PDB,TRYPTOPHANOL,L-PEPTIDE LINKING,TPL,TPL,no,2000-02-08,2011-12-14,REL,,,W,TPL,28,14,,,,"InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1",,,,,TRP,,,,,,2-AMINO-3-(1H-INDOL-3-YL)-PROPAN-1-OL,0,,yes,C11 H14 N2 O,190.242,,,,,,,,,,,,,,,,,no,,no,1EE7,EBI,,,,, chem_comp,chem_comp_NH2,461,203499,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_FKI,4617,203598,FKI,PDB,"5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOIC ACID",NON-POLYMER,FKI,FKI,no,2012-11-20,2012-11-20,REL,,ABK,,FKI,18,11,,,,"InChI=1S/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1",,,,,,,,,,,,0,,no,C5 H7 F2 N O3,167.111,,,,,,,,,,,,,,,,,no,,no,1DY8,EBI,,,,, chem_comp,chem_comp_ZN,4617,203599,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 15 17:54:56 2011",, chem_comp,chem_comp_ZN,4619,203629,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_NH2,462,203648,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,4621,203676,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011",, chem_comp,chem_comp_NH2,463,203736,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NAG,4630,203751,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 11:20:45 2011",, chem_comp,chem_comp_NH2,464,203920,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,4640,203934,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ZN,4644,204000,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_2AR,4646,204040,2AR,,2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE,DNA linking,,2AR,no,2000-05-04,2011-06-04,REL,,,A,2AR,,,,,,,,,,,DA,,,,,,[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE,0,,yes,C11 H16 N5 O5 P,329.249,,,,,,,,,,,,,,,,,no,,no,1EXL,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 10:39:02 2011",, chem_comp,chem_comp_ZN,4710,205106,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:28:58 2011",, chem_comp,chem_comp_8OG,4646,204041,8OG,,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA linking,,8OG,no,2000-10-03,2011-06-04,REL,,G42,G,8OG,,,,,,,,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 10:41:20 2011",, chem_comp,chem_comp_BAP,4647,204063,BAP,PDB,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE",NON-POLYMER,BAP,BAP,no,2012-11-20,2012-11-20,REL,,BPC,,BAP,39,23,,,,"InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H16 O3,304.339,,,,,,,,,,,,,,,,,no,,no,1DXA,RCSB,,,,, chem_comp,chem_comp_NH2,465,204120,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,466,204239,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SNR,4666,204306,SNR,PDB,NORBIOTIN,NON-POLYMER,SNR,SNR,no,2002-04-10,2011-12-14,REL,,,,SNR,29,15,,,,"InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1",,,,,,,,,,,"4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID",0,,no,C9 H14 N2 O3 S,230.284,,,,,,,,,,,,,,,,,no,,no,1LCV,RCSB,,,,, chem_comp,chem_comp_NH2,467,204363,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_GCH,4673,204414,GCH,,GLYCOCHOLIC ACID,non-polymer,,GCH,no,2000-03-09,2011-06-04,REL,,,,GCH,,,,,,,,,,,,,,,,,N-CHOLYLGLYCINE,0,,no,C26 H43 N O6,465.623,,,,,,,,,,,,,,,,,no,,no,1EIO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 12:58:27 2011",, chem_comp,chem_comp_ZN,4677,204478,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 13:33:23 2011",, chem_comp,chem_comp_WAY,4679,204513,WAY,PDB,N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE,NON-POLYMER,WAY,WAY,no,2000-08-18,2011-12-14,REL,,,,WAY,51,30,,,,"InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)",,,,,,,,,,,WAY-151693,0,no,yes,C21 H21 N3 O5 S,427.474,,,,,,,,,,,,,,,,,no,,no,1FM1,RCSB,,,,, chem_comp,chem_comp_NH2,468,204528,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_RTL,4682,204580,RTL,,RETINOL,non-polymer,,RTL,no,1999-07-08,2011-06-04,REL,,,,RTL,,,,,,,,,,,,,,,,,,0,,no,C20 H30 O,286.452,,,,,,,,,,,,,,,,,no,,yes,1AQB,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:01:17 2011",, chem_comp,chem_comp_CD,4684,204621,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:27:49 2011",, chem_comp,chem_comp_NH2,469,204731,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_5MC,4692,204745,5MC,,5-METHYLCYTIDINE-5'-MONOPHOSPHATE,RNA LINKING,,5MC,no,1999-07-08,2011-06-04,REL,,,C,5MC,,,,,,,,,,,C,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 14:10:02 2011",, chem_comp,chem_comp_DU,4692,204746,DU,,2'-DEOXYURIDINE-5'-MONOPHOSPHATE,DNA LINKING,,DU,no,2001-06-01,2011-06-04,REL,,,U,DU,,,,,,,,,,,,,,,,,,0,,no,C9 H13 N2 O8 P,308.182,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 14:16:00 2011",, chem_comp,chem_comp_CH,4692,204747,CH,PDB,N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE,RNA LINKING,CH,CH,no,2012-04-05,2012-04-05,REL,,,C,CH,36,21,,,,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1",,,,,C,,,,,,,1,,no,C9 H15 N3 O8 P,324.204,,,,,,,,,,,,,,,,,no,,yes,1KOS,EBI,,,,, chem_comp,chem_comp_HEA,4695,204783,HEA,,HEME-A,non-polymer,,HEA,yes,1999-07-08,2011-08-02,REL,,,,HEA,,,,,,,,,,,,,,,,,,0,,yes,C49 H56 Fe N4 O6,852.837,,,,,,,,,,,,,,,,,no,,no,1OCR,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 14:51:05 2011",, chem_comp,chem_comp_GNP,4700,204878,GNP,,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,non-polymer,,GNP,no,1999-07-08,2011-06-04,REL,,GTN,,GNP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 12:50:33 2011",, chem_comp,chem_comp_ACE,4702,204922,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4702,204923,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 14:21:55 2011",, chem_comp,chem_comp_CA,4702,204924,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 14:49:03 2011",, chem_comp,chem_comp_ZN,4707,205007,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 15:41:30 2011",, chem_comp,chem_comp_ZN,4708,205036,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 15:41:30 2011",, chem_comp,chem_comp_ZN,4709,205063,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 15:41:30 2011",, chem_comp,chem_comp_NH2,471,205087,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,6951,256054,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SCR,4712,205150,SCR,PDB,SUCROSE OCTASULFATE,SACCHARIDE,SCR,SCR,no,1999-07-08,2011-12-14,REL,,,,SCR,77,55,,,,"InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",,,,,,,,,,,,0,,no,C12 H22 O35 S8,982.802,,,,,,,,,,,,,,,,,no,,no,1AFC,RCSB,,,,, chem_comp,chem_comp_NH2,472,205303,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_SKM,4722,205355,SKM,PDB,"(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID",non-polymer,,SKM,no,2004-08-16,2011-06-04,REL,,,,SKM,,,,,,,,,,,,,,,,,SHIKIMATE,0,,no,C7 H10 O5,174.151,,,,,,,,,,,,,,,,,no,,no,1U8A,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:34:26 2011",, chem_comp,chem_comp_CD,4725,205415,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:41:15 2011",, chem_comp,chem_comp_CA,4729,205502,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:53:37 2011",, chem_comp,chem_comp_NH2,473,205530,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CU,4738,205697,CU,PDB,COPPER (II) ION,NON-POLYMER,CU,CU,no,2012-11-20,2012-11-20,REL,,,,CU,1,1,,,,InChI=1S/Cu/q+2,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CU1,4738,205698,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-11-20,2012-11-20,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,4739,205716,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:08:34 2011",, chem_comp,chem_comp_NH2,474,205739,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEC,4743,205845,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:12:47 2011",, chem_comp,chem_comp_HEC,4744,205874,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:12:47 2011",, chem_comp,chem_comp_1AR,4746,205912,1AR,,"4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE",L-saccharide,,1AR,no,1999-07-08,2011-06-04,REL,,,,1AR,,,,,,,,,,,,,,,,,,0,,no,C9 H16 O5,204.220,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:38:50 2011",, chem_comp,chem_comp_1GL,4746,205913,1GL,,"4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-saccharide,,1GL,no,1999-07-08,2011-06-04,REL,,BRI,,1GL,,,,,,,,,,,,,,,,,,0,,no,C7 H14 O4,162.184,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:40:17 2011",, chem_comp,chem_comp_2GL,4746,205914,2GL,,"4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-saccharide,,2GL,no,1999-07-08,2011-06-04,REL,,,,2GL,,,,,,,,,,,,,,,,,,0,,no,C8 H14 O5,190.194,,,,,,,,,,,,,,,,,no,,no,1EKH,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:44:52 2011",, chem_comp,chem_comp_DDA,4746,205915,DDA,,"2,6-DIDEOXY-BETA-D-GLUCOSE",D-saccharide,,DDA,no,1999-07-08,2011-06-04,REL,,,,DDA,,,,,,,,,,,,,,,,,"2,6-DIDEOXY-BETA-D-MANNOSE",0,,no,C6 H12 O4,148.157,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:46:10 2011",, chem_comp,chem_comp_NH2,510,217297,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_DXB,4746,205916,DXB,,"1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE",non-polymer,,DXB,no,1999-07-08,2011-06-04,REL,,,,DXB,,,,,,,,,,,,,,,,,,0,,yes,C21 H24 O7,388.411,,,,,,,,,,,,,,,,,no,,no,1BP8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:48:13 2011",, chem_comp,chem_comp_CO,4746,205917,CO,,COBALT (II) ION,non-polymer,,CO,no,1999-07-08,2011-06-04,REL,,,,CO,,,,,,,,,,,,,,,,,,2,,no,Co,58.933,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:36:41 2011",, chem_comp,chem_comp_ACE,4747,205959,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4747,205960,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 12:15:47 2011",, chem_comp,chem_comp_NH2,475,206048,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_1AR,4753,206135,1AR,,"4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE",L-saccharide,,1AR,no,1999-07-08,2011-06-04,REL,,,,1AR,,,,,,,,,,,,,,,,,,0,,no,C9 H16 O5,204.220,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:38:50 2011",, chem_comp,chem_comp_1GL,4753,206136,1GL,,"4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-saccharide,,1GL,no,1999-07-08,2011-06-04,REL,,BRI,,1GL,,,,,,,,,,,,,,,,,,0,,no,C7 H14 O4,162.184,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:40:17 2011",, chem_comp,chem_comp_2GL,4753,206137,2GL,,"4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE",D-saccharide,,2GL,no,1999-07-08,2011-06-04,REL,,,,2GL,,,,,,,,,,,,,,,,,,0,,no,C8 H14 O5,190.194,,,,,,,,,,,,,,,,,no,,no,1EKH,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:44:52 2011",, chem_comp,chem_comp_DDA,4753,206138,DDA,,"2,6-DIDEOXY-BETA-D-GLUCOSE",D-saccharide,,DDA,no,1999-07-08,2011-06-04,REL,,,,DDA,,,,,,,,,,,,,,,,,"2,6-DIDEOXY-BETA-D-MANNOSE",0,,no,C6 H12 O4,148.157,,,,,,,,,,,,,,,,,no,,no,1EKH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:46:10 2011",, chem_comp,chem_comp_DXB,4753,206139,DXB,,"1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE",non-polymer,,DXB,no,1999-07-08,2011-06-04,REL,,,,DXB,,,,,,,,,,,,,,,,,,0,,yes,C21 H24 O7,388.411,,,,,,,,,,,,,,,,,no,,no,1BP8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:48:13 2011",, chem_comp,chem_comp_ZN,4753,206140,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:28:58 2011",, chem_comp,chem_comp_CD,4754,206162,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:41:15 2011",, chem_comp,chem_comp_HEM,4759,206245,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:18:35 2011",, chem_comp,chem_comp_HEC,4761,206300,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:49:41 2011",, chem_comp,chem_comp_GDP,4770,206465,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,1999-07-08,2011-12-14,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,,, chem_comp,chem_comp_HEC,4777,206590,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:12:47 2011",, chem_comp,chem_comp_GNP,4778,206624,GNP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER,NON-POLYMER,GNP,GNP,no,1999-07-08,2011-12-14,REL,,GTN,,GNP,49,32,,,,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O13 P3,522.196,,,,,,,,,,,,,,,,,no,,no,1CTQ,RCSB,,,,, chem_comp,chem_comp_CA,4782,206731,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:53:37 2011",, chem_comp,chem_comp_ZN,4786,206791,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_BLM,4786,206792,BLM,,BLEOMYCIN A2,non-polymer,,BLM,no,1999-12-01,2011-06-04,REL,,,,BLM,,,,,,,,,,,,,,,,,N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE,0,,yes,C55 H85 N17 O21 S3,1416.560,,,,,,,,,,,,,,,,,no,,no,1EWJ,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:24:53 2011",, chem_comp,chem_comp_ZN,4789,206874,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:28:58 2011",, chem_comp,chem_comp_CA,4798,207100,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_ACE,4799,207119,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,4799,207120,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 12:20:53 2011",, chem_comp,chem_comp_HEC,4800,207163,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,4801,207188,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEM,4803,207236,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEM_red,4804,207258,HEM_red,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_red,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HEM,4805,207282,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEC,4805,207283,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 14:17:51 2011",, chem_comp,chem_comp_HEM,4806,207305,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEM,4807,207327,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEM,4808,207351,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEC,4808,207352,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 14:17:51 2011",, chem_comp,chem_comp_HEM,4809,207376,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEC,4809,207377,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 14:17:51 2011",, chem_comp,chem_comp_HEM,4810,207414,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:45:53 2011",, chem_comp,chem_comp_HEC,4810,207415,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 14:17:51 2011",, chem_comp,chem_comp_CA,4823,207659,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_ZN,4834,207861,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_HEC_ox,4837,207929,HEC_ox,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEC_ox,,,,,,,,,,,,,,,,,,,,,,,,,,,,yes,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,4842,208041,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_NH2,4845,208093,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_NH2,4846,208108,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_NH2,4847,208123,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_S3P,4848,208139,S3P,PDB,SHIKIMATE-3-PHOSPHATE,NON-POLYMER,S3P,S3P,no,2000-11-16,2011-12-14,REL,,,,S3P,27,16,,,,"InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C7 H11 O8 P,254.131,,,,,,,,,,,,,,,,,no,,no,1G6T,PDBJ,,,,, chem_comp,chem_comp_AAC,545,224717,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_NH2,4853,208246,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_ZN,4856,208316,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:17:05 2011",, chem_comp,chem_comp_CU1,4859,208370,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:59:28 2011",, chem_comp,chem_comp_AIB,4862,208427,AIB,,ALPHA-AMINOISOBUTYRIC ACID,L-peptide linking,,AIB,no,1999-07-08,2011-06-04,REL,,,A,AIB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:37:41 2011",, chem_comp,chem_comp_NH2,4862,208428,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_NH2,4872,208643,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_ACE,4872,208644,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:15:33 2011",, chem_comp,chem_comp_CA,4876,208737,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_MG,7119,258789,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_FMN,4881,208873,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2011-06-04,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 16:06:19 2011",, chem_comp,chem_comp_ZN,4884,208922,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_CA,4887,208997,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_ZN,4890,209060,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:17:05 2011",, chem_comp,chem_comp_PTDINS3P,4898,209224,PTDINS3P,,"1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]",non-polymer,PtdIns3P,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,C17 H32 O16 P2,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZN,4898,209225,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LAT,4909,209487,LAT,,BETA-LACTOSE,saccharide,,LAT,no,1999-07-08,2011-06-04,REL,,,,LAT,,,,,,,,,,,,,,,,,,0,,no,C12 H22 O11,342.296,,,,,,,,,,,,,,,,,no,,no,1DLL,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:39:17 2011",, chem_comp,chem_comp_NH2,4916,209646,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_NH2,4921,209765,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_ZN,4925,209844,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,4928,209909,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,4939,210148,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:11:59 2011",, chem_comp,chem_comp_ROM,4947,210335,ROM,PDB,C-1027 AROMATIZED CHROMOPHORE,NON-POLYMER,ROM,ROM,no,2001-02-01,2011-12-14,REL,,,,ROM,105,60,,,,"InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1",,,,,,,,,,,,1,,yes,C43 H45 Cl N3 O13,847.283,,,,,,,,,,,,,,,,,no,,no,1HZL,RCSB,,,,, chem_comp,chem_comp_NH2,4950,210386,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_MYR,4951,210407,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:28:18 2011",, chem_comp,chem_comp_NH2,4951,210408,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_AAC,645,246760,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_RBF,4954,210477,RBF,PDB,RIBOFLAVIN,NON-POLYMER,RBF,RBF,no,1999-07-08,2011-12-14,REL,,,,RBF,47,27,,,,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",,,,,,,,,,,RIBOFLAVINE; VITAMIN B2,0,,yes,C17 H20 N4 O6,376.364,,,,,,,,,,,,,,,,,no,,no,1BU5,RCSB,,,,, chem_comp,chem_comp_CSP,4955,210496,CSP,,S-PHOSPHOCYSTEINE,L-PEPTIDE LINKING,,CSP,no,1999-07-08,2011-06-04,REL,,,C,CSP,,,,,,,,,,,CYS,,,,,,,0,,no,C3 H8 N O5 P S,201.138,,,,,,,,,,,,,,,,,no,,no,1A5Y,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:45:08 2011",, chem_comp,chem_comp_HEC,4960,210615,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:03:01 2011",, chem_comp,chem_comp_PTR,4961,210635,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:19:43 2011",, chem_comp,chem_comp_GLC,4975,211030,GLC,,ALPHA-D-GLUCOSE,SACCHARIDE,,GLC,no,1999-07-08,2011-06-04,REL,,AGC,,GLC,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,1ANF,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:17:14 2011",, chem_comp,chem_comp_CA,4978,211108,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:35:28 2011",, chem_comp,chem_comp_HEC,498,211154,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_GSH,4980,211173,GSH,PDB,GLUTATHIONE,NON-POLYMER,GSH,GSH,no,2014-04-23,2014-04-23,REL,,GTT,,GSH,37,20,,,,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",,,,,,,,,,,,0,,no,C10 H17 N3 O6 S,307.323,,,,,,,,,,,,,,,,,no,Corina,no,1DUG,RCSB,,,,, chem_comp,chem_comp_BME,4982,211224,BME,,BETA-MERCAPTOETHANOL,non-polymer,,BME,no,1999-07-08,2011-06-04,REL,,SEO,,BME,,,,,,,,,,,,,,,,,,0,,no,C2 H6 O S,78.133,,,,,,,,,,,,,,,,,no,,no,1DIF,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:30:25 2011",, chem_comp,chem_comp_GLZ,4983,211254,GLZ,,AMINO-ACETALDEHYDE,L-PEPTIDE LINKING,,GLZ,no,1999-07-08,2011-06-04,REL,,,G,GLZ,,,,,,,,,,,GLY,,,,,,,0,,no,C2 H5 N O,59.067,,,,,,,,,,,,,,,,,no,,no,1CMX,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:38:08 2011",, chem_comp,chem_comp_FMN,4985,211295,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2011-06-04,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:31:59 2011",, chem_comp,chem_comp_MLR,4987,211347,MLR,,MALTOTRIOSE,non-polymer,,MLR,no,2003-03-03,2011-06-04,REL,,,,MLR,,,,,,,,,,,,,,,,,AMYLOTRIOSE,0,,no,C18 H32 O16,504.437,,,,,,,,,,,,,,,,,no,,no,1URS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:45:20 2011",, chem_comp,chem_comp_AAC,499,211418,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,499,211419,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_FES,4992,211463,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 17:21:55 2011",, chem_comp,chem_comp_ACE,4993,211490,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011",, chem_comp,chem_comp_DIV,4993,211491,DIV,,D-ISOVALINE,D-PEPTIDE LINKING,,DIV,no,1999-07-08,2011-06-04,REL,,,V,DIV,,,,,,,,,,,,,,,,,,0,,no,C5 H11 N O2,117.146,,,,,,,,,,,,,,,,,yes,,no,1JOH,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:55:43 2011",, chem_comp,chem_comp_AIB,4993,211492,AIB,,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,,AIB,no,1999-07-08,2011-06-04,REL,,,A,AIB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:57:50 2011",, chem_comp,chem_comp_HYP,4993,211493,HYP,,4-HYDROXYPROLINE,L-PEPTIDE LINKING,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 12:02:16 2011",, chem_comp,chem_comp_PHL,4993,211494,PHL,,L-PHENYLALANINOL,L-PEPTIDE LINKING,,PHL,no,1999-07-08,2011-06-04,REL,,,F,PHL,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,,no,1JOH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 12:04:28 2011",, chem_comp,chem_comp_EMD,4994,211516,EMD,,"5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE",non-polymer,,EMD,no,2001-04-20,2011-06-04,REL,,,,EMD,,,,,,,,,,,,,,,,,,0,,yes,C22 H23 N3 O4 S,425.501,,,,,,,,,,,,,,,,,no,,no,1IH0,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 10:47:19 2011",, chem_comp,chem_comp_CA,4994,211517,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,500,211698,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HEC,500,211699,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_EEY,50000,211736,EEY,PDB,2-chloro-5-nitro-N-(pyridin-4-yl)benzamide,NON-POLYMER,EEY,EEY,no,2018-12-08,2018-12-08,REL,,,,EEY,27,19,,,,"InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)",,,,,,,,,,,,0,,yes,C12 H8 Cl N3 O3,277.663,,,,,,,,,,,,,,,,,no,Corina,no,6C1I,RCSB,,,,, chem_comp,chem_comp_C2E,50001,211754,C2E,PDB,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",NON-POLYMER,C2E,C2E,no,2012-11-20,2012-11-20,REL,,,,C2E,70,46,,,,"InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",,,,,,,,,,,"c-di-GMP, Cyclic diguanosine monophosphate",0,,yes,C20 H24 N10 O14 P2,690.411,,,,,,,,,,,,,,,,,no,Corina,no,2RDE,EBI,,,,, chem_comp,chem_comp_PIA,50010,211859,PIA,PDB,"[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",L-PEPTIDE LINKING,PIA,PIA,no,2012-11-20,2012-11-20,REL,,,X,PIA,36,21,,,,"InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1",,,,,"ALA,TYR,GLY",,,,,,,0,,yes,C14 H15 N3 O4,289.287,,,,,,,,,,,,,,,,,no,Corina,no,1H6R,EBI,,,,, chem_comp,chem_comp_PIA,50011,211875,PIA,PDB,"[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",L-PEPTIDE LINKING,PIA,PIA,no,2012-11-20,2012-11-20,REL,,,X,PIA,36,21,,,,"InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1",,,,,"ALA,TYR,GLY",,,,,,,0,,yes,C14 H15 N3 O4,289.287,,,,,,,,,,,,,,,,,no,Corina,no,1H6R,EBI,,,,, chem_comp,chem_comp_ZN,50012,211891,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_1RG,50013,211906,1RG,PDB,"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",NON-POLYMER,1RG,1RG,no,2012-11-20,2012-11-20,REL,,,,1RG,60,33,,,,"InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1",,,,,,,,,,,"ERTAPENEM, bound form PRE-ISOMERIZED",0,,yes,C22 H27 N3 O7 S,477.531,,,,,,,,,,,,,,,,,no,Corina,no,3M6B,RCSB,,,,, chem_comp,chem_comp_ZN,50013,211907,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HEC,5005,212169,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 16:15:05 2011",, chem_comp,chem_comp_CA,50093,212405,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,50108,212645,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GTP,50172,213341,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50173,213358,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GTP,50174,213375,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50175,213390,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GTP,50176,213405,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50177,213420,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GTP,50178,213435,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50179,213450,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GTP,50180,213484,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50181,213499,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_GTP,50182,213514,GTP,PDB,GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,GTP,GTP,no,2013-03-23,2013-03-23,REL,,,G,GTP,48,32,,,,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,Corina,no,1QRA,EBI,,,,, chem_comp,chem_comp_GDP,50183,213529,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_ZN,50187,213570,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,50191,213609,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,5020,213679,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,5020,213680,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 12:20:53 2011",, chem_comp,chem_comp_ZAE,50202,213699,ZAE,PDB,N-methyl-D-phenylalanine,D-PEPTIDE LINKING,ZAE,ZAE,no,2012-11-20,2012-11-20,REL,,,,ZAE,26,13,,,,"InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H13 N O2,179.216,,,,,,,,,,,,,,,,,no,Corina,no,,RCSB,,,,, chem_comp,chem_comp_DAR,50202,213700,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,2012-11-20,2012-11-20,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_28J,50202,213701,28J,PDB,D-alloisoleucine,D-PEPTIDE LINKING,28J,28J,no,2014-05-17,2014-05-17,REL,,,,28J,22,9,,,,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,Corina,no,4MEX,RCSB,,,,, chem_comp,chem_comp_DTH,50202,213702,DTH,PDB,D-THREONINE,D-PEPTIDE LINKING,DTH,DTH,no,2012-11-20,2012-11-20,REL,,,T,DTH,17,8,,,,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",,,,,,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DAL,50202,213703,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,DAL,DAL,no,2012-11-20,2012-11-20,REL,,,A,DAL,13,6,,,,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DGL,50202,213704,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,DGL,DGL,no,2012-11-20,2012-11-20,REL,,,E,DGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,1CZQ,RCSB,,,,, chem_comp,chem_comp_GGL,50202,213705,GGL,PDB,GAMMA-L-GLUTAMIC ACID,"L-GAMMA-PEPTIDE, C-DELTA LINKING",GGL,GGL,no,2012-11-20,2012-11-20,REL,,,E,GGL,19,10,,,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",,,,,,,,,,,L-GLUTAMIC ACID,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_MUB,50202,213706,MUB,PDB,N-ACETYLMURAMIC ACID,"D-SACCHARIDE, ALPHA LINKING",MUB,MUB,,2020-01-26,2020-01-26,REL,,,,MUB,39,20,,,,"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1",,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,OpenEye/OEToolkits V1.4.2,no,,RCSB,,,,, chem_comp,chem_comp_NAG,50202,213707,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,"D-SACCHARIDE, BETA LINKING",NAG,NAG,no,2020-01-26,2020-01-26,REL,,,,NAG,30,15,,,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,Corina,no,8PCH,RCSB,,,,, chem_comp,chem_comp_PCG,50203,213725,PCG,PDB,CYCLIC GUANOSINE MONOPHOSPHATE,NON-POLYMER,PCG,PCG,no,2012-11-20,2012-11-20,REL,,,,PCG,35,23,,,,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,,yes,C10 H12 N5 O7 P,345.205,,,,,,,,,,,,,,,,,no,,no,1BE4,RCSB,,,,, chem_comp,chem_comp_ACE,5021,213821,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,5021,213822,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 12:20:53 2011",, chem_comp,chem_comp_MG,50212,213855,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_PO4,50212,213856,PO4,PDB,PHOSPHATE ION,NON-POLYMER,PO4,PO4,no,2012-11-20,2012-11-20,REL,,IPS,,PO4,5,5,,,,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",,,,,,,,,,,,-3,,no,O4 P,94.971,,,,,,,,,,,,,,,,,no,,no,1IXG,EBI,,,,, chem_comp,chem_comp_ZN,50220,213998,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,50241,214139,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DU,50242,214155,DU,PDB,2'-DEOXYURIDINE-5'-MONOPHOSPHATE,DNA LINKING,DU,DU,no,2012-11-20,2012-11-20,REL,,,U,DU,33,20,,,,"InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",,,,,,,,,,,,0,,no,C9 H13 N2 O8 P,308.182,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,,, chem_comp,chem_comp_ANP,50243,214173,ANP,PDB,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,NON-POLYMER,ANP,ANP,no,2012-11-20,2012-11-20,REL,,,,ANP,48,31,,,,"InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H17 N6 O12 P3,506.196,,,,,,,,,,,,,,,,,no,Corina,no,1CDK,RCSB,,,,, chem_comp,chem_comp_MG,50243,214174,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_38T,50246,214226,38T,PDB,5-methyluridine,NON-POLYMER,38T,38T,no,2014-07-18,2014-07-18,REL,,,,38T,32,18,,,,"InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1",,,,,,,,,,,,0,,no,C10 H14 N2 O6,258.228,,,,,,,,,,,,,,,,,no,Corina,no,4QSW,RCSB,,,,, chem_comp,chem_comp_LLT,50247,214241,LLT,PDB,L-deoxythymidine,NON-POLYMER,LLT,LLT,no,2012-11-20,2012-11-20,REL,,,,LLT,31,17,,,,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",,,,,,,,,,,"L-thymidine, beta-L-thymidine, L-dT, 2'-deoxy-L-thymidine, 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",0,,no,C10 H14 N2 O5,242.229,,,,,,,,,,,,,,,,,no,Corina,no,3HP1,RCSB,,,,, chem_comp,chem_comp_HSL,5025,214285,HSL,,HOMOSERINE LACTONE,L-peptide linking,,HSL,no,2001-11-02,2011-06-04,REL,,,S,HSL,,,,,,,,,,,SER,,,,,,,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,no,,no,2BR6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 16:53:18 2011",, chem_comp,chem_comp_MGP,50250,214311,MGP,PDB,7-METHYL-GUANOSINE-5'-TRIPHOSPHATE,NON-POLYMER,MGP,MGP,no,2012-11-20,2012-11-20,REL,,,,MGP,52,33,,,,"InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,1,,yes,C11 H19 N5 O14 P3,538.215,,,,,,,,,,,,,,,,,no,Corina,no,1L8B,RCSB,,,,, chem_comp,chem_comp_HEC,5026,214403,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 16:15:05 2011",, chem_comp,chem_comp_CYN,5026,214404,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_GDP,50260,214425,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,2014-05-13,2014-05-13,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,no,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,Corina,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,50260,214426,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_UED,50262,214457,UED,PDB,N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide,NON-POLYMER,UED,UED,no,2020-05-16,2020-05-16,REL,,,,UED,60,29,,,,"InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1",,,,,,,,,,,,0,,yes,C21 H31 N3 O5,405.488,,,,,,,,,,,,,,,,,no,Corina,no,6WTK,RCSB,,,,, chem_comp,chem_comp_GSP,50267,214517,GSP,PDB,5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE,NON-POLYMER,GSP,GSP,no,2012-11-20,2012-11-20,REL,,,,GSP,48,32,,,,"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,,,,,,,,0,no,yes,C10 H16 N5 O13 P3 S,539.246,,,,,,,,,,,,,,,,,no,,no,1GIA,EBI,,,,, chem_comp,chem_comp_MG,50267,214518,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,no,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_5FC,50278,214670,5FC,PDB,5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE,DNA LINKING,5FC,5FC,no,2012-11-20,2012-11-20,REL,,,C,5FC,36,22,,,,"InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1",,,,,DC,,,,,,2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE,0,,no,C10 H14 N3 O8 P,335.207,,,,,,,,,,,,,,,,,yes,,no,1VE8,RCSB,,,,, chem_comp,chem_comp_TPO,50298,214738,TPO,PDB,PHOSPHOTHREONINE,L-PEPTIDE LINKING,TPO,TPO,no,2020-06-19,2020-06-19,REL,,,T,TPO,22,12,,,,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",,,,,THR,,,,,,PHOSPHONOTHREONINE,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,no,,no,1FMO,EBI,,,,, chem_comp,chem_comp_SEP,50298,214739,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,SEP,SEP,no,2012-11-20,2012-11-20,REL,,,S,SEP,19,11,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,,, chem_comp,chem_comp_GA,50333,215080,GA,PDB,GALLIUM (III) ION,NON-POLYMER,GA,GA,no,2012-11-20,2012-11-20,REL,,,,GA,1,1,,,,InChI=1S/Ga/q+3,,,,,,,,,,,,3,,no,Ga,69.723,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_LCM,50333,215081,LCM,PDB,"N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)",NON-POLYMER,LCM,LCM,no,2013-03-30,2013-03-30,REL,,,,LCM,46,26,,,,"InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)",,,,,,,,,,,4-LICAM,0,,yes,C18 H20 N2 O6,360.361,,,,,,,,,,,,,,,,,no,Corina,no,3ZK3,EBI,,,,, chem_comp,chem_comp_MG,50369,215433,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,2012-11-20,2012-11-20,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ATP,50385,215498,ATP,PDB,ADENOSINE-5'-TRIPHOSPHATE,NON-POLYMER,ATP,ATP,no,2012-11-20,2012-11-20,REL,,,,ATP,47,31,,,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,EBI,,,,, chem_comp,chem_comp_PEP,50386,215513,PEP,PDB,PHOSPHOENOLPYRUVATE,NON-POLYMER,PEP,PEP,no,2012-11-20,2012-11-20,REL,,,,PEP,15,10,,,,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",,,,,,,,,,,,0,,no,C3 H5 O6 P,168.042,,,,,,,,,,,,,,,,,no,,no,1ONE,RCSB,,,,, chem_comp,chem_comp_NEP,50386,215514,NEP,PDB,N1-PHOSPHONOHISTIDINE,L-PEPTIDE LINKING,NEP,NEP,no,2012-11-20,2012-11-20,REL,,,H,NEP,25,15,,,,"InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1",,,,,HIS,,,,,,,0,,yes,C6 H10 N3 O5 P,235.134,,,,,,,,,,,,,,,,,no,,no,1EUD,EBI,,,,, chem_comp,chem_comp_APR,50388,215547,APR,PDB,ADENOSINE-5-DIPHOSPHORIBOSE,NON-POLYMER,APR,APR,no,2012-11-20,2012-11-20,REL,,,,APR,59,36,,,,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1",,,,,,,,,,,,0,,yes,C15 H23 N5 O14 P2,559.316,,,,,,,,,,,,,,,,,no,,no,1G9Q,RCSB,,,,, chem_comp,chem_comp_ZN,50405,215635,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_78P,50455,215847,78P,PDB,(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium,NON-POLYMER,78P,78P,no,2012-11-20,2012-11-20,REL,,,,78P,34,18,,,,"InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1",,,,,,,,,,,,0,no,yes,C13 H16 N4 O,244.292,,,,,,,,,,,,,,,,,no,Corina,no,2RD6,RCSB,,,"(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium C13 H16 N4 O",, chem_comp,chem_comp_09L,50456,215869,09L,PDB,4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one,NON-POLYMER,09L,09L,no,2012-11-20,2012-11-20,REL,,,,09L,55,32,,,,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",,,,,,,,,,,Olaparib,0,no,yes,C24 H23 F N4 O3,434.463,,,,,,,,,,,,,,,,,no,Corina,no,3U9Y,RCSB,,,"4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one C24 H23 F N4 O3",, chem_comp,chem_comp_2YQ,50457,215891,2YQ,PDB,"(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one",NON-POLYMER,2YQ,2YQ,no,2014-09-19,2014-09-19,REL,,,,2YQ,42,28,,,,"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1",,,,,,,,,,,,0,no,yes,C19 H14 F2 N6 O,380.351,,,,,,,,,,,,,,,,,no,Corina,no,4PJT,RCSB,,,"(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one C19 H14 F2 N6 O",, chem_comp,chem_comp_UHB,50458,215913,UHB,PDB,"2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide",NON-POLYMER,UHB,UHB,no,2013-12-07,2013-12-07,REL,,,,UHB,66,39,,,,"InChI=1S/C24H25N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,8,10-11,17-19,24,35-36H,4-7,9H2,(H,26,37)(H2,25,27,28)/b30-14-/t17-,18+,19-,24+/m0/s1",,,,,,,,,,,,0,no,yes,C24 H27 N9 O6,537.528,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,"2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide C24 H27 N9 O6",, chem_comp,chem_comp_NH2,50463,216017,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AYA,505,216107,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_SME,5057,216303,SME,,METHIONINE SULFOXIDE,L-peptide linking,,SME,no,1999-07-08,2011-06-04,REL,,,M,SME,,,,,,,,,,,MET,,,,,,,0,,no,C5 H11 N O3 S,165.211,,,,,,,,,,,,,,,,,no,,no,1BA6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 15:14:56 2011",, chem_comp,chem_comp_AYA,506,216366,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_ZN,5065,216481,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 15:35:03 2011",, chem_comp,chem_comp_CD,5066,216513,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 15:41:43 2011",, chem_comp,chem_comp_CA,5071,216634,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_HEM,5079,216827,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 15:50:33 2011",, chem_comp,chem_comp_HEM,5080,216870,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 15:50:33 2011",, chem_comp,chem_comp_GIX,5081,216899,GIX,,PROTOPORPHYRIN IX CONTAINING GA,non-polymer,,GIX,no,2011-03-07,2011-06-07,REL,,,,GIX,,,,,,,,,,,,,,,,,,5,,yes,C34 H32 Ga N4 O4,630.365,,,,,,,,,,,,,,,,,no,,no,3QUG,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 16:06:06 2011",, chem_comp,chem_comp_STE,5083,216931,STE,PDB,STEARIC ACID,non-polymer,,STE,no,1999-07-08,2011-06-04,REL,,,,STE,,,,,,,,,,,,,,,,,,0,,no,C18 H36 O2,284.477,,,,,,,,,,,,,,,,,no,,no,1HMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 13:42:52 2011",, chem_comp,chem_comp_HEC,5086,217007,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 14:10:39 2011",, chem_comp,chem_comp_HEC,5087,217026,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 14:10:39 2011",, chem_comp,chem_comp_HEC,5088,217044,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 14:10:39 2011",, chem_comp,chem_comp_HEC,5089,217063,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 14:10:39 2011",, chem_comp,chem_comp_NH2,509,217080,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEM,5091,217108,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:44:13 2011",, chem_comp,chem_comp_ZN,5096,217204,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011",, chem_comp,chem_comp_CA,5099,217270,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:55:41 2011",, chem_comp,chem_comp_ZN,5099,217271,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011",, chem_comp,chem_comp_ZN,5100,217313,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:32:42 2011",, chem_comp,chem_comp_ACE,5108,217487,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DNP,5108,217488,DNP,PDB,3-AMINO-ALANINE,L-peptide linking,,DNP,no,1999-07-08,2011-06-04,REL,,,A,DNP,,,,,,,,,,,ALA,,,,,,,1,,no,C3 H9 N2 O2,105.116,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:48:01 2011",, chem_comp,chem_comp_ACE,5109,217506,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DAB,5109,217507,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-peptide linking,,DAB,no,1999-07-08,2011-06-04,REL,,,A,DAB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:57:51 2011",, chem_comp,chem_comp_NH2,511,217525,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,5110,217540,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_BCX,5110,217541,BCX,PDB,BETA-3-CYSTEINE,L-peptide linking,,BCX,no,2001-06-05,2011-06-04,REL,,,C,BCX,,,,,,,,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:06:18 2011",, chem_comp,chem_comp_ACE,5111,217560,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_BSE,5111,217561,BSE,PDB,BETA-3-SERINE,L-peptide linking,,BSE,no,2001-06-01,2011-06-04,REL,,,S,BSE,,,,,,,,,,,SER,,,,,,,0,,no,C4 H9 N O3,119.119,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:35:24 2011",, chem_comp,chem_comp_HYP,5112,217580,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,5112,217581,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_HYP,5113,217605,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_AAR,5113,217606,AAR,,ARGININEAMIDE,L-peptide linking,,AAR,no,1999-07-08,2011-06-04,REL,,,R,AAR,,,,,,,,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:47:26 2011",, chem_comp,chem_comp_NH2,512,217759,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,513,217962,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,5136,218101,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DAB,5136,218102,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-peptide linking,,DAB,no,1999-07-08,2011-06-04,REL,,,A,DAB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:57:51 2011",, chem_comp,chem_comp_ACE,5137,218120,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DAP,5137,218121,DAP,PDB,6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE,non-polymer,,DAP,no,1999-07-08,2011-06-04,REL,,,,DAP,,,,,,,,,,,,,,,,,,0,,yes,C16 H15 N5,277.324,,,,,,,,,,,,,,,,,no,,no,432D,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:49:37 2011",, chem_comp,chem_comp_ACE,5138,218139,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DNP,5138,218140,DNP,PDB,3-AMINO-ALANINE,L-peptide linking,,DNP,no,1999-07-08,2011-06-04,REL,,,A,DNP,,,,,,,,,,,ALA,,,,,,,1,,no,C3 H9 N2 O2,105.116,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:48:01 2011",, chem_comp,chem_comp_ACE,5139,218158,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DNP,5139,218159,DNP,PDB,3-AMINO-ALANINE,L-peptide linking,,DNP,no,1999-07-08,2011-06-04,REL,,,A,DNP,,,,,,,,,,,ALA,,,,,,,1,,no,C3 H9 N2 O2,105.116,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:48:01 2011",, chem_comp,chem_comp_NH2,514,218177,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,5140,218191,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_DAB,5140,218192,DAB,PDB,"2,4-DIAMINOBUTYRIC ACID",L-peptide linking,,DAB,no,1999-07-08,2011-06-04,REL,,,A,DAB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:57:51 2011",, chem_comp,chem_comp_ZN,5147,218305,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011",, chem_comp,chem_comp_FES,5148,218329,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:37:28 2011",, chem_comp,chem_comp_NH2,515,218383,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,5153,218463,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:55:41 2011",, chem_comp,chem_comp_ZN,5153,218464,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011",, chem_comp,chem_comp_CA,5156,218545,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 12:25:57 2011",, chem_comp,chem_comp_AAR,5157,218563,AAR,,ARGININEAMIDE,L-peptide linking,,AAR,no,1999-07-08,2011-06-04,REL,,,R,AAR,,,,,,,,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:47:26 2011",, chem_comp,chem_comp_ZN,5163,218707,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:12:44 2011",, chem_comp,chem_comp_HEM_ox,5172,218885,HEM_ox,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_ox,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,1-,yes,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,5179,219017,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CLG,5183,219112,CLG,,2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID,L-peptide linking,,CLG,no,2001-10-05,2011-06-04,REL,,,K,CLG,,,,,,,,,,,LYS,,,,,,,0,,no,C10 H20 N4 O5,276.290,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 13:23:42 2011",, chem_comp,chem_comp_CLH,5183,219113,CLH,PDB,2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID,L-peptide linking,,CLH,no,2001-10-05,2011-06-04,REL,,,K,CLH,,,,,,,,,,,LYS,,,,,,,0,,no,C10 H17 N3 O5,259.259,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 13:26:03 2011",, chem_comp,chem_comp_MPT,5183,219114,MPT,PDB,BETA-MERCAPTOPROPIONIC ACID,non-polymer,,MPT,no,2001-01-26,2011-06-04,REL,,,,MPT,,,,,,,,,,,,,,,,,,0,,no,C3 H6 O2 S,106.144,,,,,,,,,,,,,,,,,yes,,no,1XY1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 13:27:34 2011",, chem_comp,chem_comp_ABA,5183,219115,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 13:28:44 2011",, chem_comp,chem_comp_NH2,5183,219116,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_NH2,5192,219293,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_CA,5194,219331,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_DAR,5196,219356,DAR,PDB,D-ARGININE,D-PEPTIDE LINKING,DAR,DAR,no,1999-07-08,2011-12-14,REL,,,R,DAR,27,12,,,,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",,,,,,,,,,,,1,,no,C6 H15 N4 O2,175.209,,,,,,,,,,,,,,,,,no,,yes,1CZQ,RCSB,,,,, chem_comp,chem_comp_NH2,5196,219357,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,5201,219453,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,5201,219454,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_ZN,5203,219499,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011",, chem_comp,chem_comp_CA,5206,219564,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:55:41 2011",, chem_comp,chem_comp_PTR,5212,219705,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:15:02 2011",, chem_comp,chem_comp_NH2,5212,219706,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_CU1,5213,219729,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-11-20,2012-11-20,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ACE,5214,219750,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AAC,665,250548,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_NH2,5214,219751,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_ACE,5215,219776,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,5215,219777,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_ACE,5216,219797,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-04-05,2012-04-05,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_NH2,5216,219798,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:41:13 2011",, chem_comp,chem_comp_ZN,5219,219855,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 16:30:26 2011",, chem_comp,chem_comp_HYIN,5231,220127,HYIN,BMRB,beta-hydroxamate inhibitor,non-polymer,HYIN,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,yes,C18H39O8N1S2,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_HEM,5239,220303,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 16:59:43 2011",, chem_comp,chem_comp_ZN,5306,221780,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_CMR,5245,220442,CMR,,2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE,DNA linking,,CMR,no,2001-10-09,2011-06-04,REL,,,C,CMR,,,,,,,,,,,DC,,,,,,,0,,no,C10 H16 N3 O6 P,305.224,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 16:10:19 2011",, chem_comp,chem_comp_RMP,5245,220443,RMP,,2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE,DNA linking,,RMP,no,2001-10-09,2011-06-04,REL,,,A,RMP,,,,,,,,,,,DA,,,,,,,0,,yes,C11 H16 N5 O5 P,329.249,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 16:11:56 2011",, chem_comp,chem_comp_IIL,5246,220467,IIL,,ISO-ISOLEUCINE,L-peptide linking,,IIL,no,1999-07-08,2011-06-04,REL,,,I,IIL,,,,,,,,,,,ILE,,,,,,ALLO-ISOLEUCINE,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1RH4,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 11:13:42 2011",, chem_comp,chem_comp_CA,5247,220491,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_ZN,5249,220540,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 17:08:22 2011",, chem_comp,chem_comp_6IA,5259,220689,6IA,,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,RNA linking,,6IA,no,2001-01-19,2011-06-04,REL,,,A,6IA,,,,,,,,,,,A,,,,,,,0,,yes,C15 H24 N5 O7 P,417.354,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:02:27 2011",, chem_comp,chem_comp_FE2,5260,220714,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 17:18:05 2011",, chem_comp,chem_comp_HEM,5269,220893,HEM,PDB,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:34:47 2011",, chem_comp,chem_comp_ZN,5271,220940,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:47:52 2011",, chem_comp,chem_comp_FE2,5271,220941,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:49:50 2011",, chem_comp,chem_comp_CH,5278,221107,CH,,N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE,RNA linking,,CH,no,1999-07-08,2011-06-04,REL,,,C,CH,,,,,,,,,,,C,,,,,,,1,,no,C9 H15 N3 O8 P,324.204,,,,,,,,,,,,,,,,,no,,yes,1KOS,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:58:16 2011",, chem_comp,chem_comp_HEC,5279,221129,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 10:58:36 2011",, chem_comp,chem_comp_ACE,5283,221223,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 12:01:15 2011",, chem_comp,chem_comp_NH2,5283,221224,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 12:03:29 2011",, chem_comp,chem_comp_AYA,5286,221288,AYA,,N-ACETYLALANINE,L-peptide linking,,AYA,no,1999-07-08,2011-06-04,REL,,,A,AYA,,,,,,,,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:34:22 2011",, chem_comp,chem_comp_NH2,5286,221289,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:42:14 2011",, chem_comp,chem_comp_AME,862,264403,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_PTR,5288,221326,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:48:37 2011",, chem_comp,chem_comp_ZN,5294,221453,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:47:52 2011",, chem_comp,chem_comp_PCA,53,221599,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_A2G,5301,221664,A2G,,N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE,saccharide,,A2G,no,1999-07-08,2011-06-04,REL,,,,A2G,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,1D0H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 16:53:29 2011",, chem_comp,chem_comp_ACE,5301,221665,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:15:33 2011",, chem_comp,chem_comp_HEM,5304,221732,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_ZN,5309,221838,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_PTR,5310,221890,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 17:23:41 2011",, chem_comp,chem_comp_ZN,5312,221938,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_PTR,5314,221974,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:36:27 2011",, chem_comp,chem_comp_RTL,5319,222091,RTL,,RETINOL,non-polymer,,RTL,no,1999-07-08,2011-06-04,REL,,,,RTL,,,,,,,,,,,,,,,,,,0,,no,C20 H30 O,286.452,,,,,,,,,,,,,,,,,no,,yes,1AQB,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:43:34 2011",, chem_comp,chem_comp_ZN,5327,222285,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_RTL,5331,222374,RTL,,RETINOL,non-polymer,,RTL,no,1999-07-08,2011-06-04,REL,,,,RTL,,,,,,,,,,,,,,,,,,0,,no,C20 H30 O,286.452,,,,,,,,,,,,,,,,,no,,yes,1AQB,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 12:03:01 2011",, chem_comp,chem_comp_MYR,5332,222401,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:30:20 2011",, chem_comp,chem_comp_CA,5332,222402,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_HEM,5333,222423,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_ZN,5335,222472,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:26:23 2011",, chem_comp,chem_comp_FES,5337,222492,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 11:26:54 2011",, chem_comp,chem_comp_ZN,5342,222599,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_SM,5344,222648,SM,,SAMARIUM (III) ION,non-polymer,,SM,no,1999-07-08,2011-06-04,REL,,,,SM,,,,,,,,,,,,,,,,,,3,,no,Sm,150.360,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:44:10 2011",, chem_comp,chem_comp_MG,5347,222707,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_MTN,5351,222786,MTN,,"S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",non-polymer,,MTN,no,2003-12-10,2011-06-04,REL,,,,MTN,,,,,,,,,,,,,,,,,MTSL,0,,no,C10 H18 N O3 S2,264.385,,,,,,,,,,,,,,,,,yes,,no,1RF8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 14:53:34 2011",, chem_comp,chem_comp_ZN,5363,223025,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_GDP,5368,223134,GDP,PDB,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,GDP,GDP,no,1999-07-08,2011-12-14,REL,,,G,GDP,43,28,,,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,,, chem_comp,chem_comp_MG,5368,223135,MG,PDB,MAGNESIUM ION,NON-POLYMER,MG,MG,no,1999-07-08,2011-12-14,REL,,,,MG,1,1,,,,InChI=1S/Mg/q+2,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,5369,223151,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_P11,5370,223189,P11,,IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE,non-polymer,,P11,no,2002-04-24,2011-06-04,REL,,,,P11,,,,,,,,,,,,,,,,,,1,,yes,C41 H56 N17 O8,914.992,,,,,,,,,,,,,,,,,no,,no,1LEJ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:01:45 2011",, chem_comp,chem_comp_HEC,5372,223228,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 14:17:51 2011",, chem_comp,chem_comp_ACE,5377,223332,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:15:33 2011",, chem_comp,chem_comp_TYC,548,225330,TYC,PDB,L-TYROSINAMIDE,NON-POLYMER,TYC,TYC,no,2004-12-06,2011-12-14,REL,,,,TYC,25,13,,,,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1",,,,,,,,,,,,0,,yes,C9 H12 N2 O2,180.204,,,,,,,,,,,,,,,,,no,,no,2BF9,EBI,,,,, chem_comp,chem_comp_NH2,5377,223333,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_CA,5377,223334,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:18:35 2011",, chem_comp,chem_comp_NH2,5379,223380,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_MLE,5383,223442,MLE,PDB,N-METHYLLEUCINE,L-peptide linking,,MLE,no,1999-07-08,2011-06-04,REL,,,L,MLE,,,,,,,,,,,LEU,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 15:09:59 2011",, chem_comp,chem_comp_PCA,5384,223457,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_BEP,5386,223489,BEP,,1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE,non-polymer,,BEP,no,2000-01-24,2011-06-04,REL,,,,BEP,,,,,,,,,,,,,,,,,BEPRIDIL,0,,yes,C24 H34 N2 O,366.540,,,,,,,,,,,,,,,,,no,,no,1DTL,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:48:27 2011",, chem_comp,chem_comp_CA,5386,223490,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011",, chem_comp,chem_comp_PSU,5394,223697,PSU,PDB,PSEUDOURIDINE-5'-MONOPHOSPHATE,RNA linking,,PSU,no,1999-07-08,2011-06-04,REL,,,U,PSU,,,,,,,,,,,U,,,,,,,0,,no,C9 H13 N2 O9 P,324.181,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 16:17:31 2011",, chem_comp,chem_comp_NAP,5396,223742,NAP,,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NAP,no,1999-07-08,2011-06-04,REL,,,,NAP,,,,,,,,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 14:14:26 2011",, chem_comp,chem_comp_TOP,5396,223743,TOP,,TRIMETHOPRIM,non-polymer,,TOP,no,1999-07-08,2011-06-04,REL,,,,TOP,,,,,,,,,,,,,,,,,,0,,yes,C14 H18 N4 O3,290.318,,,,,,,,,,,,,,,,,no,,no,1DYR,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 14:16:33 2011",, chem_comp,chem_comp_TRP,5403,223934,TRP,PDB,TRYPTOPHAN,L-PEPTIDE LINKING,TRP,TRP,no,2012-11-20,2012-11-20,REL,,LTR,W,TRP,27,15,,,,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_BB2,5404,223950,BB2,PDB,ACTINONIN,NON-POLYMER,BB2,BB2,no,2000-10-23,2011-12-14,REL,,,,BB2,62,27,,,,"InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1",,,,,,,,,,,2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE,0,,no,C19 H35 N3 O5,385.498,,,,,,,,,,,,,,,,,no,,no,1G2A,EBI,,,,, chem_comp,chem_comp_HEC,5406,224002,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:11 2011",, chem_comp,chem_comp_AAC,543,224405,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,543,224406,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,544,224561,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,544,224562,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,545,224718,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,546,224907,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,546,224908,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,5464,224994,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_HEM,5466,225037,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:42:48 2011",, chem_comp,chem_comp_CA,5480,225358,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:35:28 2011",, chem_comp,chem_comp_ZN,5483,225443,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:11:59 2011",, chem_comp,chem_comp_CU1,5505,225923,CU1,PDB,COPPER (I) ION,NON-POLYMER,CU1,CU1,no,2012-04-05,2012-04-05,REL,,,,CU1,1,1,,,,InChI=1S/Cu/q+1,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_GDP,5511,226045,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA linking,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:18:42 2011",, chem_comp,chem_comp_MG,5511,226046,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:20:54 2011",, chem_comp,chem_comp_ZN,5525,226433,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_OMC,5530,226530,OMC,,O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE,RNA linking,,OMC,no,1999-07-08,2011-06-04,REL,,,C,OMC,,,,,,,,,,,C,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:23:33 2011",, chem_comp,chem_comp_OMG,5530,226531,OMG,,O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA linking,,OMG,no,1999-07-08,2011-06-04,REL,,,G,OMG,,,,,,,,,,,G,,,,,,,0,,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:29:36 2011",, chem_comp,chem_comp_5MC,5530,226532,5MC,,5-METHYLCYTIDINE-5'-MONOPHOSPHATE,RNA linking,,5MC,no,1999-07-08,2011-06-04,REL,,,C,5MC,,,,,,,,,,,C,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:31:32 2011",, chem_comp,chem_comp_OMC,5531,226555,OMC,,O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE,RNA linking,,OMC,no,1999-07-08,2011-06-04,REL,,,C,OMC,,,,,,,,,,,C,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:23:33 2011",, chem_comp,chem_comp_OMG,5531,226556,OMG,,O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA linking,,OMG,no,1999-07-08,2011-06-04,REL,,,G,OMG,,,,,,,,,,,G,,,,,,,0,,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1EVV,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:29:36 2011",, chem_comp,chem_comp_5MC,5531,226557,5MC,,5-METHYLCYTIDINE-5'-MONOPHOSPHATE,RNA linking,,5MC,no,1999-07-08,2011-06-04,REL,,,C,5MC,,,,,,,,,,,C,,,,,,,0,,no,C10 H16 N3 O8 P,337.223,,,,,,,,,,,,,,,,,no,,no,1EVV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:31:32 2011",, chem_comp,chem_comp_1MG,5531,226558,1MG,,1N-METHYLGUANOSINE-5'-MONOPHOSPHATE,RNA linking,,1MG,no,1999-07-08,2011-06-04,REL,,,G,1MG,,,,,,,,,,,G,,,,,,,0,,yes,C11 H16 N5 O8 P,377.247,,,,,,,,,,,,,,,,,no,,no,1YFG,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 12:49:43 2011",, chem_comp,chem_comp_FMN,5540,226766,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2008-10-14,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 17 10:58:44 2011",, chem_comp,chem_comp_CA,5544,226849,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011",, chem_comp,chem_comp_NH2,5548,226929,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011",, chem_comp,chem_comp_NH2,5549,226964,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011",, chem_comp,chem_comp_NH2,5550,227004,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011",, chem_comp,chem_comp_ZN,5555,227115,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:24:02 2011",, chem_comp,chem_comp_ZN,5556,227139,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:24:02 2011",, chem_comp,chem_comp_FMN,5571,227577,FMN,,FLAVIN MONONUCLEOTIDE,non-polymer,,FMN,no,1999-07-08,2008-10-14,REL,,,,FMN,,,,,,,,,,,,,,,,,RIBOFLAVIN MONOPHOSPHATE,0,,yes,C17 H21 N4 O9 P,456.344,,,,,,,,,,,,,,,,,no,,no,1FLM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 17 10:58:44 2011",, chem_comp,chem_comp_PCA,5575,227643,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ATP,5576,227662,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:54:12 2011",, chem_comp,chem_comp_RTL,5578,227703,RTL,,RETINOL,non-polymer,RTL,RTL,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,C20 H30 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,6791,253193,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-11-20,2012-11-20,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ABA,5580,227775,ABA,,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:48:05 2011",, chem_comp,chem_comp_DHA,5580,227776,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:49:16 2011",, chem_comp,chem_comp_DHL,5580,227777,DHL,PDB,2-AMINO-ETHANETHIOL,L-PEPTIDE LINKING,DHL,DHL,no,2012-11-20,2012-11-20,REL,,SEA,X,DHL,11,4,,,,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",,,,,,,,,,,"2,3-DESHYDROLANTHIONINE",0,,no,C2 H7 N S,77.149,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,,, chem_comp,chem_comp_ABA,5581,227797,ABA,,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:48:05 2011",, chem_comp,chem_comp_DHA,5581,227798,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:49:16 2011",, chem_comp,chem_comp_DHL,5581,227799,DHL,PDB,2-AMINO-ETHANETHIOL,L-PEPTIDE LINKING,DHL,DHL,no,2012-11-20,2012-11-20,REL,,SEA,X,DHL,11,4,,,,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",,,,,,,,,,,"2,3-DESHYDROLANTHIONINE",0,,no,C2 H7 N S,77.149,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,,, chem_comp,chem_comp_ABA,5582,227819,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:48:05 2011",, chem_comp,chem_comp_DHA,5582,227820,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:49:16 2011",, chem_comp,chem_comp_DHL,5582,227821,DHL,PDB,2-AMINO-ETHANETHIOL,L-PEPTIDE LINKING,DHL,DHL,no,2012-11-20,2012-11-20,REL,,SEA,X,DHL,11,4,,,,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",,,,,,,,,,,"2,3-DESHYDROLANTHIONINE",0,,no,C2 H7 N S,77.149,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,,, chem_comp,chem_comp_CU,5584,227862,CU,,COPPER (II) ION,non-polymer,,CU,no,1999-07-08,2011-06-04,REL,,,,CU,,,,,,,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 13:20:59 2011",, chem_comp,chem_comp_CGU,5585,227885,CGU,,GAMMA-CARBOXY-GLUTAMIC ACID,L-peptide linking,,CGU,no,1999-07-08,2011-06-04,REL,,,E,CGU,,,,,,,,,,,GLU,,,,,,,0,,no,C6 H9 N O6,191.139,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 13:28:03 2011",, chem_comp,chem_comp_HYP,5585,227886,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_P5P,5586,227905,P5P,,PURINE RIBOSIDE-5'-MONOPHOSPHATE,RNA linking,,P5P,no,1999-07-08,2011-06-04,REL,,,A,P5P,,,,,,,,,,,A,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,no,,no,1RBN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 13:33:28 2011",, chem_comp,chem_comp_P5P,5587,227925,P5P,,PURINE RIBOSIDE-5'-MONOPHOSPHATE,RNA linking,,P5P,no,1999-07-08,2011-06-04,REL,,,A,P5P,,,,,,,,,,,A,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,no,,no,1RBN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 13:33:28 2011",, chem_comp,chem_comp_P5P,5588,227945,P5P,,PURINE RIBOSIDE-5'-MONOPHOSPHATE,RNA linking,,P5P,no,1999-07-08,2011-06-04,REL,,,A,P5P,,,,,,,,,,,A,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,no,,no,1RBN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 13:33:28 2011",, chem_comp,chem_comp_ZN,5592,228073,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_ZN,5593,228098,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_HEM,5597,228252,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 14:22:15 2011",, chem_comp,chem_comp_FME,5600,228338,FME,,N-FORMYLMETHIONINE,L-peptide linking,,FME,no,1999-07-08,2011-06-04,REL,,,M,FME,,,,,,,,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 14:49:33 2011",, chem_comp,chem_comp_ZN,5600,228339,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:24:02 2011",, chem_comp,chem_comp_FME,5601,228373,FME,,N-FORMYLMETHIONINE,L-peptide linking,,FME,no,1999-07-08,2011-06-04,REL,,,M,FME,,,,,,,,,,,MET,,,,,,,0,,no,C6 H11 N O3 S,177.221,,,,,,,,,,,,,,,,,no,,no,1BQ9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 14:49:33 2011",, chem_comp,chem_comp_ZN,5601,228374,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:24:02 2011",, chem_comp,chem_comp_DTR,5608,228555,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 15:25:11 2011",, chem_comp,chem_comp_NH2,6792,253210,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NH2,5608,228556,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011",, chem_comp,chem_comp_ACE,5613,228666,ACE,PDB,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 16:20:39 2011",, chem_comp,chem_comp_NH2,5613,228667,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011",, chem_comp,chem_comp_CA,5618,228767,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011",, chem_comp,chem_comp_HEC,5625,228961,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:11 2011",, chem_comp,chem_comp_ZN,5627,229012,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_TUX,5627,229013,TUX,,"1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL",non-polymer,,TUX,no,2003-03-18,2011-06-04,REL,,,,TUX,,,,,,,,,,,,,,,,,TU-514,0,,no,C22 H41 N O7,431.563,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 13:17:00 2011",, chem_comp,chem_comp_HEM,5660,229667,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 26 11:01:26 2011",, chem_comp,chem_comp_ZN,5667,229804,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_ZN,5668,229828,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_ZN,5669,229872,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 26 11:33:38 2011",, chem_comp,chem_comp_NH2,5673,229977,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 26 11:50:10 2011",, chem_comp,chem_comp_NH2,5674,230000,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 26 11:50:10 2011",, chem_comp,chem_comp_NLW,5675,230020,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_ZN,5692,230453,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_PTR,5693,230477,PTR,PDB,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,PTR,PTR,no,1999-07-08,2011-12-14,REL,,,Y,PTR,29,17,,,,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_SSU,5703,230706,SSU,,URIDINE-5'-PHOSPHOROTHIOATE,RNA linking,,SSU,no,2003-04-09,2011-06-04,REL,,,U,SSU,,,,,,,,,,,U,,,,,,SP-SULFUR-SUBSTITUTED URIDINE,0,,no,C9 H13 N2 O8 P S,340.247,,,,,,,,,,,,,,,,,yes,,no,1NZ1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 11:58:02 2011",, chem_comp,chem_comp_CA,5707,230792,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_M7G,5712,230905,M7G,,7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE,non-polymer,,M7G,no,1999-07-08,2011-06-04,REL,,MDG,,M7G,,,,,,,,,,,,,,,,,,0,,no,C11 H19 N5 O11 P2,459.243,,,,,,,,,,,,,,,,,no,,no,1EJ1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:31:03 2011",, chem_comp,chem_comp_NI,5715,230956,NI,,NICKEL (II) ION,non-polymer,,NI,no,1999-07-08,2011-06-04,REL,,,,NI,,,,,,,,,,,,,,,,,,2,,no,Ni,58.693,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 13:12:39 2011",, chem_comp,chem_comp_CA,5722,231087,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_BAP,5730,231271,BAP,PDB,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE",NON-POLYMER,BAP,BAP,no,2012-11-20,2012-11-20,REL,,BPC,,BAP,39,23,,,,"InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1",,,,,,,,,,,,0,,yes,C20 H16 O3,304.339,,,,,,,,,,,,,,,,,no,,no,1DXA,RCSB,,,,, chem_comp,chem_comp_CA,5738,231417,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_AFN,5739,231443,AFN,,"8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1",non-polymer,,AFN,no,2003-01-03,2011-06-04,REL,,,,AFN,,,,,,,,,,,,,,,,,,0,,yes,C17 H14 O7,330.289,,,,,,,,,,,,,,,,,no,,no,1N1N,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:56:48 2011",, chem_comp,chem_comp_FOL,5740,231472,FOL,,FOLIC ACID,non-polymer,,FOL,no,1999-07-08,2011-06-04,REL,,FA,,FOL,,,,,,,,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:19:21 2011",, chem_comp,chem_comp_NAP,5740,231473,NAP,,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NAP,no,1999-07-08,2011-06-04,REL,,,,NAP,,,,,,,,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:21:56 2011",, chem_comp,chem_comp_FOL,5741,231495,FOL,,FOLIC ACID,non-polymer,,FOL,no,1999-07-08,2011-06-04,REL,,FA,,FOL,,,,,,,,,,,,,,,,,,0,,yes,C19 H19 N7 O6,441.397,,,,,,,,,,,,,,,,,no,,no,4CD2,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:19:21 2011",, chem_comp,chem_comp_NDP,5741,231496,NDP,,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NDP,no,1999-07-08,2011-06-04,REL,,,,NDP,,,,,,,,,,,,,,,,,,0,,yes,C21 H30 N7 O17 P3,745.421,,,,,,,,,,,,,,,,,no,,no,1DGF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:37:40 2011",, chem_comp,chem_comp_HEM,5745,231588,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_AP5,5746,231615,AP5,,BIS(ADENOSINE)-5'-PENTAPHOSPHATE,non-polymer,,AP5,no,1999-07-08,2011-06-04,REL,,,,AP5,,,,,,,,,,,,,,,,,,0,,yes,C20 H29 N10 O22 P5,916.367,,,,,,,,,,,,,,,,,no,,no,1AKE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:02:24 2011",, chem_comp,chem_comp_ACE,5747,231641,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:15:33 2011",, chem_comp,chem_comp_NH2,5747,231642,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_MG,5752,231719,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_HEM,5759,231882,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 11:45:31 2011",, chem_comp,chem_comp_CU1,5768,232071,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011",, chem_comp,chem_comp_CA,5770,232119,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_DU,5775,232231,DU,,2'-DEOXYURIDINE-5'-MONOPHOSPHATE,DNA linking,,DU,no,2001-06-01,2011-06-04,REL,,,U,DU,,,,,,,,,,,,,,,,,,0,,no,C9 H13 N2 O8 P,308.182,,,,,,,,,,,,,,,,,yes,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 12:20:41 2011",, chem_comp,chem_comp_PDU,5776,232251,PDU,,5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE,DNA linking,,PDU,no,1999-07-08,2011-06-04,REL,,,U,PDU,,,,,,,,,,,DU,,,,,,,0,,no,C12 H19 N2 O8 P,350.262,,,,,,,,,,,,,,,,,no,,no,1P3X,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:37:45 2011",, chem_comp,chem_comp_5PC,5776,232252,5PC,,5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE,DNA linking,,5PC,no,2003-03-11,2011-06-04,REL,,,C,5PC,,,,,,,,,,,DC,,,,,,,0,,no,C12 H16 N3 O7 P,345.245,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:39:13 2011",, chem_comp,chem_comp_PDU,5777,232273,PDU,,5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE,DNA linking,,PDU,no,1999-07-08,2011-06-04,REL,,,U,PDU,,,,,,,,,,,DU,,,,,,,0,,no,C12 H19 N2 O8 P,350.262,,,,,,,,,,,,,,,,,no,,no,1P3X,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:37:45 2011",, chem_comp,chem_comp_5PC,5777,232274,5PC,,5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE,DNA linking,,5PC,no,2003-03-11,2011-06-04,REL,,,C,5PC,,,,,,,,,,,DC,,,,,,,0,,no,C12 H16 N3 O7 P,345.245,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:39:13 2011",, chem_comp,chem_comp_CA,5785,232434,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:18:35 2011",, chem_comp,chem_comp_ZN,5785,232435,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:26:23 2011",, chem_comp,chem_comp_PCA,5787,232473,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:00:50 2011",, chem_comp,chem_comp_PCA,5795,232667,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:36:13 2012",, chem_comp,chem_comp_HEM,5802,232842,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_CYN,5809,233002,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_CA,5817,233185,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_CU1,5819,233232,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 13:15:34 2011",, chem_comp,chem_comp_HEM,5827,233388,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_HEM,5828,233409,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_HEM,5829,233430,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_HEM,5830,233447,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:10:54 2011",, chem_comp,chem_comp_NLW,5832,233462,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_ZN,5851,233935,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_CA,5853,233999,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_HEM,5856,234055,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:00:32 2011",, chem_comp,chem_comp_CMO,5856,234056,CMO,,CARBON MONOXIDE,non-polymer,,CMO,no,1999-07-08,2011-06-04,REL,,,,CMO,,,,,,,,,,,,,,,,,,0,,no,C O,28.010,,,,,,,,,,,,,,,,,no,,no,1BZR,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:02:43 2011",, chem_comp,chem_comp_CU1,5858,234102,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 13:15:34 2011",, chem_comp,chem_comp_8OG,5866,234336,8OG,,8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE,DNA linking,,8OG,no,2000-10-03,2011-06-04,REL,,G42,G,8OG,,,,,,,,,,,DG,,,,,,"8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE",0,,no,C10 H14 N5 O8 P,363.221,,,,,,,,,,,,,,,,,no,,no,1FYI,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 14:49:34 2011",, chem_comp,chem_comp_MG,5866,234337,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_HYP,5869,234403,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,5869,234404,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:38:37 2011",, chem_comp,chem_comp_BLM,5870,234423,BLM,,BLEOMYCIN A2,non-polymer,,BLM,no,1999-12-01,2011-06-04,REL,,,,BLM,,,,,,,,,,,,,,,,,N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE,0,,yes,C55 H85 N17 O21 S3,1416.560,,,,,,,,,,,,,,,,,no,,no,1EWJ,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:24:53 2011",, chem_comp,chem_comp_CU1,5870,234424,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011",, chem_comp,chem_comp_PCA,5881,234681,PCA,PDB,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:45:42 2011",, chem_comp,chem_comp_NLW,5883,234723,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_CA,5895,235020,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:45:10 2011",, chem_comp,chem_comp_ZN,5895,235021,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011",, chem_comp,chem_comp_CA,5896,235051,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,5901,235141,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011",, chem_comp,chem_comp_PX4,5915,235480,PX4,,"1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",non-polymer,,PX4,no,2004-07-27,2011-06-04,REL,,,,PX4,,,,,,,,,,,,,,,,,,1,,no,C36 H73 N O8 P,678.940,,,,,,,,,,,,,,,,,no,,no,1TAO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:14:52 2011",, chem_comp,chem_comp_NLE,5922,235621,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_ZN,5926,235703,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011",, chem_comp,chem_comp_CYE,5927,235723,CYE,,"45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE",non-polymer,,CYE,no,2003-06-23,2011-06-04,REL,,,,CYE,,,,,,,,,,,,,,,,,,1,,yes,C45 H55 N16 O8,948.021,,,,,,,,,,,,,,,,,no,,no,1PQQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:46:54 2011",, chem_comp,chem_comp_MG,5931,235819,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:56:56 2011",, chem_comp,chem_comp_AMP,5931,235820,AMP,,ADENOSINE MONOPHOSPHATE,non-polymer,,AMP,no,1999-07-08,2011-06-04,REL,,,,AMP,,,,,,,,,,,,,,,,,,0,,yes,C10 H14 N5 O7 P,347.221,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:58:36 2011",, chem_comp,chem_comp_NH2,5938,235990,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_NH2,5941,236055,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_ZN,5944,236110,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 09:23:36 2011",, chem_comp,chem_comp_ZN,5945,236146,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 09:23:36 2011",, chem_comp,chem_comp_MYR,5960,236470,MYR,,MYRISTIC ACID,non-polymer,,MYR,no,1999-07-07,2011-06-04,REL,,,,MYR,,,,,,,,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:28:18 2011",, chem_comp,chem_comp_CA,5961,236490,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 10:35:28 2011",, chem_comp,chem_comp_ACE,5964,236539,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011",, chem_comp,chem_comp_ACE,5965,236554,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011",, chem_comp,chem_comp_ACE,5966,236569,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011",, chem_comp,chem_comp_CHR,5969,236633,CHR,PDB,NEOCARZINOSTATIN-CHROMOPHORE,non-polymer,,CHR,no,1999-07-08,2011-06-04,REL,,,,CHR,,,,,,,,,,,,,,,,,NCS-CHROMOPHORE,0,,yes,C35 H33 N O12,659.636,,,,,,,,,,,,,,,,,no,,no,1NCO,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 09:35:20 2011",, chem_comp,chem_comp_ACE,5972,236719,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011",, chem_comp,chem_comp_NH2,5972,236720,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_CAM,5972,236721,CAM,,CAMPHOR,non-polymer,,CAM,no,1999-07-08,2011-06-04,REL,,,,CAM,,,,,,,,,,,,,,,,,,0,,no,C10 H16 O,152.233,,,,,,,,,,,,,,,,,no,,no,6CP4,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 11 10:34:59 2011",, chem_comp,chem_comp_CA,5975,236777,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 10:26:39 2011",, chem_comp,chem_comp_NAP,5981,236915,NAP,,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,non-polymer,,NAP,no,1999-07-08,2011-06-04,REL,,,,NAP,,,,,,,,,,,,,,,,,2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE,0,,yes,C21 H28 N7 O17 P3,743.405,,,,,,,,,,,,,,,,,no,,no,1D4O,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:49:15 2011",, chem_comp,chem_comp_TOP,5981,236916,TOP,,TRIMETHOPRIM,non-polymer,,TOP,no,1999-07-08,2011-06-04,REL,,,,TOP,,,,,,,,,,,,,,,,,,0,,yes,C14 H18 N4 O3,290.318,,,,,,,,,,,,,,,,,no,,no,1DYR,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:51:22 2011",, chem_comp,chem_comp_FON,5983,236972,FON,,FOLINIC ACID,non-polymer,,FON,no,1999-07-09,2011-06-04,REL,,,,FON,,,,,,,,,,,,,,,,,"5-FORMYL-5,6,7,8-TETRAHYDROFOLATE",0,,yes,C20 H23 N7 O7,473.439,,,,,,,,,,,,,,,,,no,,no,1QD1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:26:20 2011",, chem_comp,chem_comp_NH2,5985,237026,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011",, chem_comp,chem_comp_ZN,5987,237062,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:37:44 2011",, chem_comp,chem_comp_CA,5992,237186,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:43:03 2011",, chem_comp,chem_comp_1,5993,237212,1,,5-hydroxyuracil,non-polymer,bmse099991,,,,,,,,,,,,,,,"InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)",,,,,,,,,,,,,,,C4 H4 N2 O3,128.08616,128.0221920051,132.0356113563,130.0162617915,134.0296811427,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ZBT,5996,237298,ZBT,PDB,"2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole",NON-POLYMER,ZBT,ZBT,no,2012-11-20,2012-11-20,REL,,,,ZBT,22,9,,,,"InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1",,,,,,,,,,,"2-sec-butyl-4,5-dihydrothiazole",0,,no,C7 H13 N S,143.250,,,,,,,,,,,,,,,,,no,Corina,no,3KFF,RCSB,,,,, chem_comp,chem_comp_ZN,6005,237599,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:26:23 2011",, chem_comp,chem_comp_NH2,6006,237626,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011",, chem_comp,chem_comp_CA,6008,237659,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_SR,6009,237675,SR,,STRONTIUM ION,non-polymer,,SR,no,1999-07-08,2011-06-04,REL,,,,SR,,,,,,,,,,,,,,,,,,2,,no,Sr,87.620,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:43:03 2011",, chem_comp,chem_comp_MDW,6014,237776,MDW,,"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE",non-polymer,,MDW,no,2006-02-09,2011-06-04,REL,,,,MDW,,,,,,,,,,,,,,,,,"6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE",0,,yes,C18 H20 N2 O7 S,408.426,,,,,,,,,,,,,,,,,no,,no,2DDY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:10:06 2011",, chem_comp,chem_comp_ZN,6014,237777,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:12:44 2011",, chem_comp,chem_comp_TPO,6018,237866,TPO,,PHOSPHOTHREONINE,L-peptide linking,,TPO,,,,,,,,,,,,,,,,,,,,,TPO,,,,,0,,no,C4 H10 N O6 P,199.099,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:05:22 2008",, chem_comp,chem_comp_NH2,6020,237897,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 16:28:00 2011",, chem_comp,chem_comp_FES,6026,238032,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:23:01 2011",, chem_comp,chem_comp_PCA,6027,238064,PCA,,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:29:48 2011",, chem_comp,chem_comp_HYP,6027,238065,HYP,,4-HYDROXYPROLINE,L-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:32:11 2011",, chem_comp,chem_comp_CY3,6027,238066,CY3,,2-AMINO-3-MERCAPTO-PROPIONAMIDE,L-peptide linking,,CY3,no,1999-10-22,2011-06-04,REL,,,C,CY3,,,,,,,,,,,CYS,,,,,,,0,,no,C3 H8 N2 O S,120.173,,,,,,,,,,,,,,,,,no,,no,1D7T,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:17:56 2011",, chem_comp,chem_comp_NH2,6027,238067,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 13:33:21 2011",, chem_comp,chem_comp_ANP,6030,238145,ANP,,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,non-polymer,,ANP,no,1999-07-08,2011-06-04,REL,,,,ANP,,,,,,,,,,,,,,,,,,0,,yes,C10 H17 N6 O12 P3,506.196,,,,,,,,,,,,,,,,,no,,no,1CDK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:30:28 2011",, chem_comp,chem_comp_CA,6031,238164,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_HEM,6033,238213,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:47:45 2011",, chem_comp,chem_comp_ZN,6035,238250,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:12:44 2011",, chem_comp,chem_comp_NLE,6039,238321,NLE,PDB,NORLEUCINE,L-PEPTIDE LINKING,NLE,NLE,no,1999-07-08,2011-12-14,REL,,,L,NLE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,Corina,no,,EBI,,,,, chem_comp,chem_comp_DNE,6039,238322,DNE,PDB,D-NORLEUCINE,D-PEPTIDE LINKING,DNE,DNE,no,2003-11-14,2011-12-14,REL,,,L,DNE,22,9,,,,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_DNM,6039,238323,DNM,PDB,N-METHYL-D-NORLEUCINE,D-PEPTIDE LINKING,DNM,DNM,no,2003-11-17,2011-12-14,REL,,,L,DNM,25,10,,,,"InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_CU1,6043,238405,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 15:40:52 2011",, chem_comp,chem_comp_NH2,6048,238485,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 16:28:00 2011",, chem_comp,chem_comp_CA,6049,238509,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_ZN,6053,238603,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 16:02:10 2011",, chem_comp,chem_comp_SMC,6054,238624,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,2012-11-20,2012-11-20,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_ZN,6054,238625,ZN,PDB,ZINC ION,NON-POLYMER,ZN,ZN,no,2012-11-20,2012-11-20,REL,,,,ZN,1,1,,,,InChI=1S/Zn/q+2,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_HG,6055,238641,HG,,MERCURY (II) ION,non-polymer,,HG,no,1999-07-08,2011-06-04,REL,,,,HG,,,,,,,,,,,,,,,,,,2,,no,Hg,200.590,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 16:13:25 2011",, chem_comp,chem_comp_DTT,6055,238642,DTT,PDB,"2,3-DIHYDROXY-1,4-DITHIOBUTANE",NON-POLYMER,DTT,DTT,no,1999-07-08,2011-12-14,REL,,,,DTT,18,8,,,,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",,,,,,,,,,,"1,4-DITHIOTHREITOL",0,,no,C4 H10 O2 S2,154.251,,,,,,,,,,,,,,,,,no,,no,1DK8,EBI,,,,, chem_comp,chem_comp_ZN,6059,238739,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 16:02:10 2011",, chem_comp,chem_comp_NH2,606,238761,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,6063,238841,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 17:32:59 2011",, chem_comp,chem_comp_NH2,6063,238842,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 17:35:08 2011",, chem_comp,chem_comp_ACE,6064,238859,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 17:32:59 2011",, chem_comp,chem_comp_NH2,6064,238860,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 17:35:08 2011",, chem_comp,chem_comp_NH2,6066,238877,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 17:35:08 2011",, chem_comp,chem_comp_NH2,6067,238893,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 14:48:08 2011",, chem_comp,chem_comp_NH2,6068,238909,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 14:48:08 2011",, chem_comp,chem_comp_ACE,6088,239328,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 14:27:57 2011",, chem_comp,chem_comp_NH2,6088,239329,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 14:48:08 2011",, chem_comp,chem_comp_ZN,6097,239517,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:12:44 2011",, chem_comp,chem_comp_NLE,6101,239596,NLE,,NORLEUCINE,L-PEPTIDE LINKING,,NLE,no,1999-07-08,2011-06-04,REL,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:46:34 2012",, chem_comp,chem_comp_DNE,6101,239597,DNE,,D-NORLEUCINE,D-PEPTIDE LINKING,,DNE,no,2003-11-14,2011-06-04,REL,,,L,DNE,,,,,,,,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:48:24 2012",, chem_comp,chem_comp_DNM,6101,239598,DNM,,N-METHYL-D-NORLEUCINE,D-PEPTIDE LINKING,,DNM,no,2003-11-17,2011-06-04,REL,,,L,DNM,,,,,,,,,,,,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:49:50 2012",, chem_comp,chem_comp_CA,6103,239635,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_CA,6104,239655,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_NLE,6105,239678,NLE,,NORLEUCINE,L-PEPTIDE LINKING,,NLE,no,1999-07-08,2011-06-04,REL,,,L,NLE,,,,,,,,,,,LEU,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:46:34 2012",, chem_comp,chem_comp_DNE,6105,239679,DNE,,D-NORLEUCINE,D-PEPTIDE LINKING,,DNE,no,2003-11-14,2011-06-04,REL,,,L,DNE,,,,,,,,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:48:24 2012",, chem_comp,chem_comp_DNM,6105,239680,DNM,,N-METHYL-D-NORLEUCINE,D-PEPTIDE LINKING,,DNM,no,2003-11-17,2011-06-04,REL,,,L,DNM,,,,,,,,,,,,,,,,,,0,,no,C7 H15 N O2,145.199,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:49:50 2012",, chem_comp,chem_comp_PCA,6109,239747,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:36:13 2012",, chem_comp,chem_comp_CTO,6123,239973,CTO,,TRIACETYLCHITOTRIOSE,D-SACCHARIDE,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:57:33 2012",, chem_comp,chem_comp_MG,6125,239992,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 09:23:39 2011",, chem_comp,chem_comp_CU,6129,240073,CU,,COPPER (II) ION,non-polymer,,CU,no,1999-07-08,2011-06-04,REL,,,,CU,,,,,,,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 09:31:38 2011",, chem_comp,chem_comp_HEM,6131,240120,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,no,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:15:40 2011",, chem_comp,chem_comp_GAL,6136,240208,GAL,,BETA-D-GALACTOSE,D-saccharide,,GAL,no,1999-07-08,2011-06-04,REL,,GLB,,GAL,,,,,,,,,,,,,,,,,,0,,no,C6 H12 O6,180.156,,,,,,,,,,,,,,,,,no,,no,2SBA,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 09:51:37 2011",, chem_comp,chem_comp_DHA,6144,240342,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:09:25 2012",, chem_comp,chem_comp_DBU,6144,240343,DBU,,(2Z)-2-AMINOBUT-2-ENOIC ACID,PEPTIDE LINKING,,DBU,no,2004-03-16,2011-06-04,REL,,,T,DBU,,,,,,,,,,,THR,,,,,,Z-DEHYDROBUTYRINE,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,yes,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:10:23 2012",, chem_comp,chem_comp_DAL,6144,240344,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:11:22 2012",, chem_comp,chem_comp_ABA,6144,240345,ABA,,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:12:13 2012",, chem_comp,chem_comp_DGL,6145,240366,DGL,,D-GLUTAMIC ACID,D-PEPTIDE LINKING,,DGL,no,1999-07-07,2011-06-04,REL,,,E,DGL,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 25 15:16:58 2012",, chem_comp,chem_comp_DAL,6145,240367,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 25 15:17:54 2012",, chem_comp,chem_comp_NAG,6145,240368,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 25 15:18:43 2012",, chem_comp,chem_comp_MUB,6145,240369,MUB,,N-ACETYLMURAMIC ACID,non-polymer,,MUB,,2004-03-16,2011-06-04,REL,,,,MUB,,,,,,,,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 25 15:20:30 2012",, chem_comp,chem_comp_POP,6145,240370,POP,,PYROPHOSPHATE 2-,non-polymer,,POP,no,1999-07-08,2011-06-04,REL,,,,POP,,,,,,,,,,,,,,,,,,-2,,no,H2 O7 P2,175.959,,,,,,,,,,,,,,,,,no,,no,2NSY,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 25 15:23:14 2012",, chem_comp,DHA_2,6146,240393,DHA_2,,dehydroalanine,non-polymer,DHA_2,DHA_2,,,,,,,,,,,,,,,,,,,,,SER,,,,,,no,,C3 H3 N1 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,DHB_2,6146,240394,DHB_2,,dehydrobutyrine,non-polymer,DHB_2,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,C4 H5 N1 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,ABA_2,6146,240395,ABA_2,,lanthionine or meso-lanthionine D-alanine moiety,non-polymer,ABA_2,,,,,,,,,,,,,,,,,,,,,,SER,,,,,,no,,C3 H4 N1 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,MLN_2,6146,240396,MLN_2,,"'3-methyllanthionine or (2S, 3S, 6R)-3-methyllanthionine",non-polymer,MLN_2,,,,,,,,,,,,,,,,,,,,,,THR,,,,,,no,,C4 H6 N1 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_DGL,6146,240397,DGL,,D-GLUTAMIC ACID,D-PEPTIDE LINKING,,DGL,no,1999-07-07,2011-06-04,REL,,,E,DGL,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:26:35 2012",, chem_comp,chem_comp_DAL,6146,240398,DAL,,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:27:57 2012",, chem_comp,chem_comp_NAG,6146,240399,NAG,,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:29:52 2012",, chem_comp,NAM_2,6146,240400,NAM_2,,N-acetyl muramic acid,non-polymer,NAM_2,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,C11 H15 N1 O7,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_POP,6146,240401,POP,,PYROPHOSPHATE 2-,non-polymer,,POP,no,1999-07-08,2011-06-04,REL,,,,POP,,,,,,,,,,,,,,,,,,-2,,no,H2 O7 P2,175.959,,,,,,,,,,,,,,,,,no,,no,2NSY,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:33:42 2012",, chem_comp,TPL_2,6146,240402,TPL_2,,"1,4-trans-isoprene",non-polymer,TPL_2,,,,,,,,,,,,,,,,,,,,,,,,,,,,no,,C5 H8,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,LEU_NH2,6151,240485,LEU_NH2,,L-LEUCINAMIDE,non-polymer,LEU_NH2,CLE,,,,,,,,,,,,,,,,,,,,,LEU,,,,,,no,,C6 H13 N2 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CA,6167,240721,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011",, chem_comp,chem_comp_NAL,6168,240744,NAL,,BETA-(2-NAPHTHYL)-ALANINE,L-PEPTIDE LINKING,,NAL,no,1999-07-08,2011-06-04,REL,,,A,NAL,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,,no,2ITK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:20:16 2012",, chem_comp,chem_comp_FLU,6182,241030,FLU,PDB,2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID,non-polymer,,FLU,no,1999-07-08,2011-06-04,REL,,,,FLU,,,,,,,,,,,,,,,,,FLUORESCEIN,0,,yes,C20 H12 O5,332.306,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:50:53 2011",, chem_comp,chem_comp_ZN,6191,241200,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:04:17 2011",, chem_comp,chem_comp_ZN,6195,241278,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:04:17 2011",, chem_comp,chem_comp_ZN,6196,241299,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:29:31 2011",, chem_comp,chem_comp_ABA,6205,241484,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-peptide linking,,ABA,no,1999-07-08,2011-06-04,REL,,AA3,A,ABA,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1CWC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 09:46:43 2011",, chem_comp,chem_comp_ZN,6216,241648,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_NFA,6217,241673,NFA,,PHENYLALANINE AMIDE,L-peptide linking,,NFA,no,1999-07-08,2011-06-04,REL,,,F,NFA,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 11:48:25 2011",, chem_comp,chem_comp_NH2,6218,241692,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 14:48:08 2011",, chem_comp,chem_comp_NFA,6219,241711,NFA,,PHENYLALANINE AMIDE,L-peptide linking,,NFA,no,1999-07-08,2011-06-04,REL,,,F,NFA,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 09:52:57 2011",, chem_comp,chem_comp_NFA,6220,241733,NFA,,PHENYLALANINE AMIDE,L-peptide linking,,NFA,no,1999-07-08,2011-06-04,REL,,,F,NFA,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H12 N2 O,164.204,,,,,,,,,,,,,,,,,no,,no,1QA7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 09:52:57 2011",, chem_comp,chem_comp_ZN,6223,241787,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_PYR1,6223,241788,1,,5-fluoropyrimidin-2-one,non-polymer,bmse099991,,,,,,,,,,,,,,,"InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)",,,,,,,,,,,,,,,C4 H3 N2 O F,114.0778232,114.0229409288,118.03636028,116.0170107152,120.0304300664,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_ADP,6229,241916,ADP,PDB,ADENOSINE-5'-DIPHOSPHATE,NON-POLYMER,ADP,ADP,no,1999-07-08,2011-12-14,REL,,,,ADP,42,27,,,,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,,,A,,,,,,,0,,yes,C10 H15 N5 O10 P2,427.201,,,,,,,,,,,,,,,,,no,,no,1PHP,RCSB,,,,, chem_comp,chem_comp_HEM_ox,6230,241955,HEM_ox,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,HEM_ox,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,yes,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CYN,6230,241956,CYN,PDB,CYANIDE ION,NON-POLYMER,CYN,CYN,no,2012-11-20,2012-11-20,REL,,CN,,CYN,2,2,,,,InChI=1S/CN/c1-2/q-1,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,,, chem_comp,chem_comp_SEP,6232,241995,SEP,,PHOSPHOSERINE,L-peptide linking,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 21 11:37:22 2011",, chem_comp,chem_comp_NH2,6237,242092,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 21 12:32:37 2011",, chem_comp,chem_comp_ZN,6238,242115,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_CU1,6243,242241,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:11:14 2011",, chem_comp,chem_comp_NH2,6245,242313,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011",, chem_comp,chem_comp_DAS,6246,242338,DAS,,D-ASPARTIC ACID,D-peptide linking,,DAS,no,1999-07-08,2011-06-04,REL,,DSP,D,DAS,,,,,,,,,,,,,,,,,,0,,no,C4 H7 N O4,133.103,,,,,,,,,,,,,,,,,no,,no,1AN1,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:23:55 2011",, chem_comp,chem_comp_ORN,6246,242339,ORN,,L-ornithine,L-peptide linking,,ORN,no,1999-07-08,2011-06-04,REL,,,A,ORN,,,,,,,,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:25:07 2011",, chem_comp,chem_comp_DAL,6246,242340,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:26:43 2011",, chem_comp,chem_comp_DSN,6246,242341,DSN,,D-SERINE,D-peptide linking,,DSN,no,1999-07-08,2011-06-04,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:28:19 2011",, chem_comp,chem_comp_MEG,6246,242342,MEG,,"(2S,3S)-2-azanyl-3-methyl-pentanedioic acid",L-peptide linking,,MEG,no,2004-05-16,2011-06-04,REL,,,E,MEG,,,,,,,,,,,GLU,,,,,,(3S)-3-methyl-L-glutamic acid,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:34:54 2011",, chem_comp,chem_comp_KYN,6246,242343,KYN,,(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,L-peptide linking,,KYN,no,2004-05-16,2011-06-04,REL,,,,KYN,,,,,,,,,,,,,,,,,L-KYNURENINE,0,,yes,C10 H12 N2 O3,208.214,,,,,,,,,,,,,,,,,no,,no,3E2Z,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:37:42 2011",, chem_comp,chem_comp_DKA,6246,242344,DKA,,DECANOIC ACID,non-polymer,,DKA,no,2000-07-17,2011-06-04,REL,,CRC,,DKA,,,,,,,,,,,,,,,,,,0,,no,C10 H20 O2,172.265,,,,,,,,,,,,,,,,,no,,no,1E7E,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:39:31 2011",, chem_comp,chem_comp_IMY,6248,242386,IMY,,"1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE",non-polymer,,IMY,no,2004-06-28,2011-06-04,REL,,,,IMY,,,,,,,,,,,,,,,,,"CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE",0,,yes,C30 H32 Cl2 N4 O3,567.506,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 12:00:34 2011",, chem_comp,chem_comp_CU1,6266,242785,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:59:28 2011",, chem_comp,chem_comp_ZN,6268,242842,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_OHN,6271,242895,OHN,,N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE,non-polymer,,OHN,,2007-03-08,2011-06-04,REL,,,,OHN,,,,,,,,,,,,,,,,,,0,,no,C16 H27 N O4,297.390,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 14:27:51 2011",, chem_comp,chem_comp_ZN,6275,242976,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011",, chem_comp,chem_comp_ZN,6276,243009,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011",, chem_comp,chem_comp_ZN,6289,243290,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_CU1,6290,243317,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:59:28 2011",, chem_comp,chem_comp_FDA,6295,243424,FDA,,DIHYDROFLAVINE-ADENINE DINUCLEOTIDE,non-polymer,,FDA,no,1999-07-08,2011-06-04,REL,,,,FDA,,,,,,,,,,,,,,,,,,0,,yes,C27 H35 N9 O15 P2,787.566,,,,,,,,,,,,,,,,,no,,no,1FNC,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 11:14:41 2011",, chem_comp,chem_comp_AAC,630,243560,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,630,243561,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,6301,243596,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 11:44:25 2011",, chem_comp,chem_comp_NH2,6301,243597,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011",, chem_comp,chem_comp_ZN,6302,243624,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6303,243645,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6325,244044,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6326,244067,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6327,244089,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6328,244111,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6329,244134,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_OLA,6333,244230,OLA,PDB,OLEIC ACID,NON-POLYMER,OLA,OLA,no,2012-11-20,2012-11-20,REL,,OLI,,OLA,54,20,,,,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",,,,,,,,,,,,0,,no,C18 H34 O2,282.461,,,,,,,,,,,,,,,,,no,,no,1HMS,RCSB,,,,, chem_comp,chem_comp_ZN,6335,244276,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_ATP,6336,244293,ATP,,ADENOSINE-5'-TRIPHOSPHATE,non-polymer,,ATP,no,1999-07-08,2011-06-04,REL,,,,ATP,,,,,,,,,,,,,,,,,,0,,yes,C10 H16 N5 O13 P3,507.181,,,,,,,,,,,,,,,,,no,,no,1B0U,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 13:36:23 2011",, chem_comp,chem_comp_RG1,6348,244551,RG1,,RHODOPIN GLUCOSIDE,D-saccharide,,RG1,no,1999-07-08,2011-06-04,REL,,,,RG1,,,,,,,,,,,,,,,,,,0,,no,C46 H66 O6,715.013,,,,,,,,,,,,,,,,,no,,no,1KZU,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 15:10:52 2011",, chem_comp,chem_comp_BCL,6348,244552,BCL,,BACTERIOCHLOROPHYLL A,non-polymer,,BCL,yes,1999-07-08,2008-11-03,REL,,,,BCL,,,,,,,,,,,,,,,,,,0,,yes,C55 H74 Mg N4 O6,911.504,,,,,,,,,,,,,,,,,no,,no,4BCL,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 15:12:04 2011",, chem_comp,chem_comp_DHA,6352,244628,DHA,PDB,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 12:11:43 2011",, chem_comp,chem_comp_DAL,6352,244629,DAL,PDB,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:26:43 2011",, chem_comp,chem_comp_HOP,6352,244630,HOP,PDB,"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL",non-polymer,,HOP,no,1999-07-08,2011-06-04,REL,,,,HOP,,,,,,,,,,,,,,,,,OXY-COPE-HAPTEN,0,,yes,C23 H27 N O4,381.465,,,,,,,,,,,,,,,,,no,,no,1AXS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 12:13:42 2011",, chem_comp,chem_comp_AA4,6352,244631,AA4,PDB,2-AMINO-5-HYDROXYPENTANOIC ACID,L-PEPTIDE LINKING,AA4,AA4,no,2012-11-20,2012-11-20,REL,,DHN,A,AA4,20,9,,,,"InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H11 N O3,133.146,,,,,,,,,,,,,,,,,no,,no,1QR3,EBI,,,,, chem_comp,chem_comp_ABA,6352,244632,ABA,PDB,ALPHA-AMINOBUTYRIC ACID,L-PEPTIDE LINKING,ABA,ABA,no,2015-02-19,2015-02-19,REL,,,A,ABA,16,7,,,,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,Corina,no,1CWC,RCSB,,,,, chem_comp,chem_comp_NH2,6360,244817,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011",, chem_comp,chem_comp_ZN,6362,244863,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_ZN,6374,245119,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_HTF,6379,245223,HTF,PDB,N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE,NON-POLYMER,HTF,HTF,no,2005-09-14,2011-12-14,REL,,,,HTF,37,16,,,,"InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1",,,,,,,,,,,N-OCTANOYL-L-HOMOSERINE LACTONE,0,,no,C12 H21 N O3,227.300,,,,,,,,,,,,,,,,,no,,no,2AVX,RCSB,,,,, chem_comp,chem_comp_NLW,6388,245380,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_CA,6390,245415,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_DSV,6391,245432,DSV,,"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",non-polymer,,DSV,no,2008-04-08,2011-06-04,REL,,,,DSV,,,,,,,,,,,,,,,,,,0,,yes,C17 H17 N O4 S2,363.451,,,,,,,,,,,,,,,,,no,,no,2K2G,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 11:42:47 2011",, chem_comp,chem_comp_ZN,6407,245772,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_ZN,6408,245793,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011",, chem_comp,chem_comp_ZN,6409,245816,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011",, chem_comp,chem_comp_NH2,6411,245874,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011",, chem_comp,chem_comp_NH2,6414,245932,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011",, chem_comp,chem_comp_MG,6418,246028,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_CZH,6418,246029,CZH,,C2-HYDROPEROXY-COELENTERAZINE,non-polymer,,CZH,no,2000-03-07,2011-06-04,REL,,,,CZH,,,,,,,,,,,,,,,,,"8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE",0,,yes,C26 H21 N3 O5,455.462,,,,,,,,,,,,,,,,,no,,no,1EJ3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:28:56 2011",, chem_comp,chem_comp_DKA,6420,246076,DKA,PDB,DECANOIC ACID,non-polymer,,DKA,no,2000-07-17,2011-06-04,REL,,CRC,,DKA,,,,,,,,,,,,,,,,,,0,,no,C10 H20 O2,172.265,,,,,,,,,,,,,,,,,no,,no,1E7E,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:39:31 2011",, chem_comp,chem_comp_ORN,6420,246077,ORN,PDB,L-ornithine,L-peptide linking,,ORN,no,1999-07-08,2011-06-04,REL,,,A,ORN,,,,,,,,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 15:05:30 2011",, chem_comp,chem_comp_DAL,6420,246078,DAL,PDB,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:26:43 2011",, chem_comp,chem_comp_DSN,6420,246079,DSN,PDB,D-SERINE,D-peptide linking,,DSN,no,1999-07-08,2011-06-04,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:28:19 2011",, chem_comp,chem_comp_LME,6420,246080,LME,PDB,"(2S,3R)-2-azanyl-3-methyl-pentanedioic acid",L-peptide linking,,LME,no,2004-11-05,2011-06-04,REL,,,E,LME,,,,,,,,,,,GLU,,,,,,(3R)-3-methyl-L-glutamic acid,0,,no,C6 H11 N O4,161.156,,,,,,,,,,,,,,,,,no,,no,1XT7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 15:08:33 2011",, chem_comp,chem_comp_KYN,6420,246081,KYN,PDB,(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,L-peptide linking,,KYN,no,2004-05-16,2011-06-04,REL,,,,KYN,,,,,,,,,,,,,,,,,L-KYNURENINE,0,,yes,C10 H12 N2 O3,208.214,,,,,,,,,,,,,,,,,no,,no,3E2Z,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:37:42 2011",, chem_comp,chem_comp_DTR,6421,246099,DTR,PDB,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 15:14:58 2011",, chem_comp,chem_comp_IAM,6421,246100,IAM,PDB,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 15:17:12 2011",, chem_comp,chem_comp_IYR,6421,246101,IYR,PDB,3-IODO-TYROSINE,L-peptide linking,,IYR,no,1999-07-08,2011-06-04,REL,,,Y,IYR,,,,,,,,,,,TYR,,,,,,,0,,yes,C9 H10 I N O3,307.085,,,,,,,,,,,,,,,,,no,,no,1CF0,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 15:18:53 2011",, chem_comp,chem_comp_AA4,6422,246116,AA4,PDB,2-AMINO-5-HYDROXYPENTANOIC ACID,L-PEPTIDE LINKING,AA4,AA4,no,2012-11-20,2012-11-20,REL,,DHN,A,AA4,20,9,,,,"InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H11 N O3,133.146,,,,,,,,,,,,,,,,,no,,no,1QR3,EBI,,,,, chem_comp,chem_comp_DTR,6422,246117,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:33:24 2011",, chem_comp,chem_comp_IAM,6422,246118,IAM,,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:35:05 2011",, chem_comp,chem_comp_AA4,6423,246133,AA4,PDB,2-AMINO-5-HYDROXYPENTANOIC ACID,L-PEPTIDE LINKING,AA4,AA4,no,2012-11-20,2012-11-20,REL,,DHN,A,AA4,20,9,,,,"InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H11 N O3,133.146,,,,,,,,,,,,,,,,,no,,no,1QR3,EBI,,,,, chem_comp,chem_comp_DTR,6423,246134,DTR,,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:33:24 2011",, chem_comp,chem_comp_IAM,6423,246135,IAM,,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:35:05 2011",, chem_comp,chem_comp_193,6423,246136,193,,(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACID,L-peptide linking,,193,no,2004-11-30,2011-06-04,REL,,,X,193,,,,,,,,,,,,,,,,,,0,,no,C7 H15 N3 O3,189.212,,,,,,,,,,,,,,,,,yes,,no,1XY5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:43:53 2011",, chem_comp,chem_comp_DTR,6424,246151,DTR,PDB,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:33:24 2011",, chem_comp,chem_comp_IAM,6424,246152,IAM,PDB,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:35:05 2011",, chem_comp,chem_comp_DTR,6425,246167,DTR,PDB,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:33:24 2011",, chem_comp,chem_comp_IAM,6425,246168,IAM,PDB,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:35:05 2011",, chem_comp,chem_comp_HHK,6425,246169,HHK,PDB,"(2S)-2,8-DIAMINOOCTANOIC ACID",L-peptide linking,,HHK,no,2004-12-07,2011-06-04,REL,,,K,HHK,,,,,,,,,,,"ALA, LYS",,,,,,,0,,no,C8 H18 N2 O2,174.241,,,,,,,,,,,,,,,,,yes,,no,1XY8,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:54:18 2011",, chem_comp,chem_comp_DTR,6426,246184,DTR,PDB,D-TRYPTOPHAN,D-peptide linking,,DTR,no,1999-07-08,2011-06-04,REL,,,W,DTR,,,,,,,,,,,,,,,,,,0,,yes,C11 H12 N2 O2,204.225,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:33:24 2011",, chem_comp,chem_comp_IAM,6426,246185,IAM,PDB,4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE,L-peptide linking,,IAM,no,2004-11-19,2011-06-04,REL,,,A,IAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H20 N2 O2,236.310,,,,,,,,,,,,,,,,,yes,,no,1XXZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 10:35:05 2011",, chem_comp,chem_comp_IYR,6426,246186,IYR,PDB,3-IODO-TYROSINE,L-peptide linking,,IYR,no,1999-07-08,2011-06-04,REL,,,Y,IYR,,,,,,,,,,,TYR,,,,,,,0,,yes,C9 H10 I N O3,307.085,,,,,,,,,,,,,,,,,no,,no,1CF0,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:03:28 2011",, chem_comp,chem_comp_CA,6433,246361,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_MG,6434,246383,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_PCA,6441,246536,PCA,PDB,PYROGLUTAMIC ACID,L-peptide linking,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:16:41 2011",, chem_comp,chem_comp_NLW,6441,246537,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_NGH,6444,246594,NGH,,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,non-polymer,,NGH,no,2003-08-06,2011-06-04,REL,,,,NGH,,,,,,,,,,,,,,,,,,0,,yes,C13 H20 N2 O5 S,316.373,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:12:54 2011",, chem_comp,chem_comp_ZN,6445,246620,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:24:12 2011",, chem_comp,chem_comp_HSL,6446,246641,HSL,,HOMOSERINE LACTONE,L-peptide linking,,HSL,no,2001-11-02,2011-06-04,REL,,,S,HSL,,,,,,,,,,,SER,,,,,,,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,no,,no,2BR6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:36:02 2011",, chem_comp,chem_comp_REA,6449,246735,REA,,RETINOIC ACID,non-polymer,,REA,no,1999-07-08,2011-06-04,REL,,,,REA,,,,,,,,,,,,,,,,,,0,,no,C20 H28 O2,300.435,,,,,,,,,,,,,,,,,no,,yes,1CBS,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:25:33 2011",, chem_comp,chem_comp_HEC,645,246761,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NH2,6463,247003,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:59:29 2011",, chem_comp,chem_comp_UDP,6465,247042,UDP,,URIDINE-5'-DIPHOSPHATE,RNA linking,,UDP,no,1999-07-08,2011-06-04,REL,,,N,UDP,,,,,,,,,,,,,,,,,,0,,no,C9 H14 N2 O12 P2,404.161,,,,,,,,,,,,,,,,,no,,no,1NAH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:49:48 2011",, chem_comp,chem_comp_AMU,6465,247043,AMU,,BETA-N-ACETYLMURAMIC ACID,D-saccharide,,AMU,no,1999-07-08,2011-06-04,REL,,,,AMU,,,,,,,,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,,no,1D0K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:51:14 2011",, chem_comp,chem_comp_DGN,6465,247044,DGN,,D-GLUTAMINE,D-peptide linking,,DGN,no,1999-07-08,2011-06-04,REL,,,Q,DGN,,,,,,,,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:52:03 2011",, chem_comp,chem_comp_KCX,6465,247045,KCX,,LYSINE NZ-CARBOXYLIC ACID,L-peptide linking,,KCX,no,1999-07-08,2011-06-04,REL,,LCX,K,KCX,,,,,,,,,,,LYS,,,,,,,0,,no,C7 H14 N2 O4,190.197,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:53:25 2011",, chem_comp,chem_comp_DAL,6465,247046,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 09:56:21 2011",, chem_comp,chem_comp_CU1,6480,247353,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011",, chem_comp,chem_comp_CU1,6482,247409,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011",, chem_comp,chem_comp_TSA,6495,247599,TSA,,,non-polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_PRE,6496,247624,PRE,,PREPHENIC ACID,non-polymer,,PRE,no,1999-07-08,2011-06-04,REL,,,,PRE,,,,,,,,,,,,,,,,,,0,,no,C10 H10 O6,226.183,,,,,,,,,,,,,,,,,no,,no,1COM,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:45:03 2011",, chem_comp,chem_comp_CA,6507,247849,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_NPP,6507,247850,NPP,,"N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE",non-polymer,,NPP,no,1999-07-08,2011-06-04,REL,,,,NPP,,,,,,,,,,,,,,,,,,-1,,yes,C17 H27 N6 O5,395.433,,,,,,,,,,,,,,,,,no,,no,1BAF,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:56:26 2011",, chem_comp,chem_comp_CA_2+,6508,247873,CA_2+,,CALCIUM (II) ION,non-polymer,CA_2+,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2+,no,no,CA1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NP1,6508,247874,NP1,,N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE,non-polymer,,NP1,no,2005-01-17,2011-06-04,REL,,,,NP1,,,,,,,,,,,,,,,,,,0,,yes,C10 H15 N3 O2,209.245,,,,,,,,,,,,,,,,,no,,no,1WUG,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:08:02 2011",, chem_comp,chem_comp_CH,6509,247893,CH,,N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE,RNA linking,,CH,no,1999-07-08,2011-06-04,REL,,,C,CH,,,,,,,,,,,C,,,,,,,1,,no,C9 H15 N3 O8 P,324.204,,,,,,,,,,,,,,,,,no,,yes,1KOS,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:11:19 2011",, chem_comp,chem_comp_PNS,6516,248041,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 14:27:05 2011",, chem_comp,chem_comp_CA,6531,248298,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_NAZ,6537,248388,NAZ,,"N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BETA-ALANINAMIDE",non-polymer,,NAZ,no,2005-04-25,2011-06-04,REL,,,,NAZ,,,,,,,,,,,,,,,,,NAPHTYRIDINE-AZAQUINOLONE,0,,yes,C24 H25 N7 O3,459.500,,,,,,,,,,,,,,,,,no,,no,1X26,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 15:23:51 2011",, chem_comp,chem_comp_CA,6541,248481,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 16:12:04 2011",, chem_comp,chem_comp_NH2,6547,248542,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 11:54:24 2011",, chem_comp,chem_comp_ZN,6555,248678,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_HEM,6572,249044,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 3 10:49:41 2011",, chem_comp,chem_comp_ZN,6648,250501,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011",, chem_comp,chem_comp_PTR,6580,249212,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 3 12:30:47 2011",, chem_comp,chem_comp_ACE,6581,249233,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:18:16 2011",, chem_comp,chem_comp_NH2,6581,249234,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_CA,6583,249287,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 4 15:24:29 2011",, chem_comp,chem_comp_PFF,6591,249441,PFF,,4-FLUORO-L-PHENYLALANINE,L-peptide linking,,PFF,no,2003-07-30,2011-06-04,REL,,,F,PFF,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 4 16:00:38 2011",, chem_comp,chem_comp_CTO,6591,249442,CTO,,TRIACETYLCHITOTRIOSE,D-saccharide,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 4 16:02:37 2011",, chem_comp,chem_comp_ZN,6594,249493,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_BTI,6599,249582,BTI,,"5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL",non-polymer,BTI,BTI,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,yes,C6 H12 O1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_35G,6602,249668,35G,,"GUANOSINE-3',5'-MONOPHOSPHATE",non-polymer,,35G,no,1999-07-08,2011-06-04,REL,,,,35G,,,,,,,,,,,,,,,,,,0,,yes,C10 H12 N5 O7 P,345.205,,,,,,,,,,,,,,,,,no,,no,1BHN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:05:56 2011",, chem_comp,chem_comp_PTR,6604,249704,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:19:06 2011",, chem_comp,chem_comp_SMC,6605,249724,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,2012-11-20,2012-11-20,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_ZN,6605,249725,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011",, chem_comp,chem_comp_AAR,6608,249775,AAR,,ARGININEAMIDE,L-peptide linking,,AAR,no,1999-07-08,2011-06-04,REL,,,R,AAR,,,,,,,,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:52:02 2011",, chem_comp,chem_comp_ZN,6613,249871,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_CA,6617,249926,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 11:22:52 2011",, chem_comp,chem_comp_SMC,6622,250036,SMC,PDB,S-METHYLCYSTEINE,L-PEPTIDE LINKING,SMC,SMC,no,1999-07-08,2011-12-14,REL,,CYM,C,SMC,17,8,,,,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",,,,,CYS,,,,,,,0,,no,C4 H9 N O2 S,135.185,,,,,,,,,,,,,,,,,no,,no,1CZI,RCSB,,,,, chem_comp,chem_comp_HEC,6634,250230,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:09:17 2011",, chem_comp,chem_comp_HSL,6636,250272,HSL,,HOMOSERINE LACTONE,L-peptide linking,,HSL,no,2001-11-02,2011-06-04,REL,,,S,HSL,,,,,,,,,,,SER,,,,,,,0,,no,C4 H7 N O2,101.104,,,,,,,,,,,,,,,,,no,,no,2BR6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:30:53 2011",, chem_comp,chem_comp_NAL,6637,250297,NAL,PDB,BETA-(2-NAPHTHYL)-ALANINE,L-peptide linking,,NAL,no,1999-07-08,2011-06-04,REL,,,A,NAL,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,,no,2ITK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:36:19 2011",, chem_comp,chem_comp_CTO,6637,250298,CTO,PDB,TRIACETYLCHITOTRIOSE,D-saccharide,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:37:48 2011",, chem_comp,chem_comp_CTO,6639,250336,CTO,PDB,TRIACETYLCHITOTRIOSE,D-sacchride,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:37:48 2011",, chem_comp,chem_comp_AAC,664,250356,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,664,250357,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CTO,6647,250476,CTO,PDB,TRIACETYLCHITOTRIOSE,D-saccharide,,CTO,no,1999-07-08,2011-06-04,REL,,,,CTO,,,,,,,,,,,,,,,,,CHITOTRIOSE,0,,no,C24 H41 N3 O16,627.593,,,,,,,,,,,,,,,,,no,,no,1BB5,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:37:48 2011",, chem_comp,chem_comp_HEC,665,250549,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ZN,6653,250636,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011",, chem_comp,chem_comp_ZN,6655,250671,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011",, chem_comp,chem_comp_PFF,6656,250713,PFF,,4-FLUORO-L-PHENYLALANINE,L-peptide linking,,PFF,no,2003-07-30,2011-06-04,REL,,,F,PFF,,,,,,,,,,,PHE,,,,,,,0,,yes,C9 H10 F N O2,183.180,,,,,,,,,,,,,,,,,yes,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:18:20 2011",, chem_comp,chem_comp_NAL,6657,250739,NAL,PDB,BETA-(2-NAPHTHYL)-ALANINE,L-peptide linking,,NAL,no,1999-07-08,2011-06-04,REL,,,A,NAL,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H13 N O2,215.248,,,,,,,,,,,,,,,,,no,,no,2ITK,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 12:36:19 2011",, chem_comp,chem_comp_ZN,6658,250758,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011",, chem_comp,chem_comp_FE,6659,250784,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6660,250813,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6661,250829,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6662,250845,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6663,250861,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6664,250877,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6665,250893,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6666,250909,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6667,250925,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6668,250941,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6669,250957,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_HEC,667,250972,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,667,250973,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_FE,6670,250989,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6671,251005,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6672,251021,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6673,251037,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6674,251053,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:38:56 2012",, chem_comp,chem_comp_FE,6675,251069,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6676,251085,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6677,251101,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_FE,6678,251117,FE,,FE (III) ION,non-polymer,,FE,no,1999-07-08,2011-06-04,REL,,,,FE,,,,,,,,,,,,,,,,,,3,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 14:33:55 2011",, chem_comp,chem_comp_ZN,6682,251196,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 10:10:13 2011",, chem_comp,chem_comp_HEM,6683,251231,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 10:17:59 2011",, chem_comp,chem_comp_FE2,6685,251250,FE2,,FE (II) ION,non-polymer,,FE2,no,1999-07-08,2011-06-04,REL,,,,FE2,,,,,,,,,,,,,,,,,,2,,no,Fe,55.845,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 10:29:28 2011",, chem_comp,chem_comp_AKG,6685,251251,AKG,PDB,2-OXOGLUTARIC ACID,NON-POLYMER,AKG,AKG,no,2017-01-18,2017-01-18,REL,,2OG,,AKG,16,10,,,,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",,,,,,,,,,,,0,,no,C5 H6 O5,146.098,,,,,,,,,,,,,,,,,no,Corina,no,1DS1,RCSB,,,,, chem_comp,Ce2-TR1C,6686,251266,Ce2-TR1C,,Ce2-TR1C complex,complex,,1CLL,,,,,,,,,,,,,,,,,,,,,,,,,,0,yes,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_FAD,6692,251421,FAD,,FLAVIN-ADENINE DINUCLEOTIDE,non-polymer,,FAD,no,1999-07-08,2011-06-04,REL,,,,FAD,,,,,,,,,,,,,,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,no,,no,1B4V,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 11:28:56 2011",, chem_comp,chem_comp_FAD,6695,251501,FAD,,FLAVIN-ADENINE DINUCLEOTIDE,non-polymer,,FAD,no,1999-07-08,2011-06-04,REL,,,,FAD,,,,,,,,,,,,,,,,,,0,,yes,C27 H33 N9 O15 P2,785.550,,,,,,,,,,,,,,,,,no,,no,1B4V,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 11:28:56 2011",, chem_comp,chem_comp_ACE,6696,251520,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 12:05:05 2011",, chem_comp,chem_comp_CA,6699,251564,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 12:15:52 2011",, chem_comp,chem_comp_LA,6699,251565,LA,,LANTHANUM (III) ION,non-polymer,,LA,no,1999-07-08,2011-06-04,REL,,,,LA,,,,,,,,,,,,,,,,,,3,,no,La,138.905,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 12:51:18 2011",, chem_comp,chem_comp_CA,6705,251611,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_AAC,672,251875,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,672,251876,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NH2,6720,251890,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 22 17:31:31 2011",, chem_comp,chem_comp_PCA,6728,252041,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,2012-11-20,2012-11-20,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_AAC,673,252073,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,673,252074,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,6733,252130,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011",, chem_comp,chem_comp_ZN,6747,252382,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_MG,6756,252523,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011",, chem_comp,chem_comp_ZN,6766,252715,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011",, chem_comp,chem_comp_DIL,6775,252828,DIL,,D-ISOLEUCINE,D-PEPTIDE LINKING,,DIL,no,1999-07-08,2011-06-04,REL,,,I,DIL,,,,,,,,,,,,,,,,,,0,,no,C6 H13 N O2,131.173,,,,,,,,,,,,,,,,,no,,no,1CWZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 15:45:41 2011",, chem_comp,melatonin,6778,252895,melatonin,,N-acetyl-5-methoxytryptamine,complex,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,yes,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_TSA,6785,253043,TSA,,"8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID",non-polymer,,TSA,no,1999-07-08,2011-06-04,REL,,BAR,,TSA,,,,,,,,,,,,,,,,,,0,,no,C10 H12 O6,228.199,,,,,,,,,,,,,,,,,no,,no,1ECM,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 16:19:58 2011",, chem_comp,chem_comp_CA,6787,253095,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 16:59:18 2011",, chem_comp,chem_comp_SEP,6788,253110,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 17:03:21 2011",, chem_comp,chem_comp_PNS,6790,253154,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 16 15:04:29 2011",, chem_comp,chem_comp_STE,6790,253155,STE,,STEARIC ACID,non-polymer,,STE,no,1999-07-08,2011-06-04,REL,,,,STE,,,,,,,,,,,,,,,,,,0,,no,C18 H36 O2,284.477,,,,,,,,,,,,,,,,,no,,no,1HMT,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 16 15:07:20 2011",, chem_comp,chem_comp_BCD,6807,253462,BCD,,BETA-CYCLODEXTRIN,SACCHARIDE,,BCD,no,1999-07-08,2011-06-04,REL,,,,BCD,,,,,,,,,,,,,,,,,CYCLO-HEPTA-AMYLOSE,0,,no,C42 H70 O35,1134.984,,,,,,,,,,,,,,,,,no,,no,1DMB,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 11:27:42 2011",, chem_comp,chem_comp_GTP,6814,253575,GTP,,GUANOSINE-5'-TRIPHOSPHATE,RNA LINKING,,GTP,no,1999-07-08,2011-06-04,REL,,,G,GTP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,,no,1QRA,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:01:36 2011",, chem_comp,chem_comp_ZN,6821,253725,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_ACE,6823,253782,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 12:02:09 2011",, chem_comp,chem_comp_CA1,6823,253783,CA1,,ETHYL PROPIONATE,non-polymer,,CA1,no,2005-09-14,2011-06-04,REL,,,,CA1,,,,,,,,,,,,,,,,,,0,,no,C5 H10 O2,102.132,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 12:09:31 2011",, chem_comp,chem_comp_NH2,6827,253877,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 13:08:09 2011",, chem_comp,chem_comp_EPP,6832,253970,EPP,PDB,DIETHYL P-NITROPHENYL PHOSPHATE,NON-POLYMER,EPP,EPP,no,1999-07-08,2011-12-14,HOLD,,,,EPP,32,18,,,,"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",,,,,,,,,,,,0,,yes,C10 H14 N O6 P,275.195,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,,, chem_comp,chem_comp_FES,6836,254065,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 11:28:44 2011",, chem_comp,chem_comp_AAR,6839,254166,AAR,,ARGININEAMIDE,L-peptide linking,,AAR,no,1999-07-08,2011-06-04,REL,,,R,AAR,,,,,,,,,,,ARG,,,,,,,1,,no,C6 H16 N5 O,174.224,,,,,,,,,,,,,,,,,no,,no,1ZTO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 12:22:57 2011",, chem_comp,chem_comp_ZN,6845,254270,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_URI,6856,254435,URI,,URIDINE,non-polymer,,URI,no,2001-03-08,2011-06-04,REL,,,,URI,,,,,,,,,,,,,,,,,,0,,no,C9 H12 N2 O6,244.201,,,,,,,,,,,,,,,,,no,,no,1I5L,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:00:03 2011",, chem_comp,chem_comp_AMU,6856,254436,AMU,,BETA-N-ACETYLMURAMIC ACID,D-saccharide,,AMU,no,1999-07-08,2011-06-04,REL,,,,AMU,,,,,,,,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,,no,1D0K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:02:52 2011",, chem_comp,chem_comp_DGN,6856,254437,DGN,,D-GLUTAMINE,D-peptide linking,,DGN,no,1999-07-08,2011-06-04,REL,,,Q,DGN,,,,,,,,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:04:33 2011",, chem_comp,chem_comp_KCX,6856,254438,KCX,,LYSINE NZ-CARBOXYLIC ACID,L-peptide linking,,KCX,no,1999-07-08,2011-06-04,REL,,LCX,K,KCX,,,,,,,,,,,LYS,,,,,,,0,,no,C7 H14 N2 O4,190.197,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:07:08 2011",, chem_comp,chem_comp_DAL,6856,254439,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:10:02 2011",, chem_comp,chem_comp_ZN,6920,255602,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_UDP,6858,254479,UDP,,URIDINE-5'-DIPHOSPHATE,RNA linking,,UDP,no,1999-07-08,2011-06-04,REL,,,N,UDP,,,,,,,,,,,,,,,,,,0,,no,C9 H14 N2 O12 P2,404.161,,,,,,,,,,,,,,,,,no,,no,1NAH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:04:36 2011",, chem_comp,chem_comp_AMU,6858,254480,AMU,,BETA-N-ACETYLMURAMIC ACID,D-saccharide,,AMU,no,1999-07-08,2011-06-04,REL,,,,AMU,,,,,,,,,,,,,,,,,,0,,no,C11 H19 N O8,293.270,,,,,,,,,,,,,,,,,no,,no,1D0K,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:06:24 2011",, chem_comp,chem_comp_DGN,6858,254481,DGN,,D-GLUTAMINE,D-peptide linking,,DGN,no,1999-07-08,2011-06-04,REL,,,Q,DGN,,,,,,,,,,,,,,,,,,0,,no,C5 H10 N2 O3,146.144,,,,,,,,,,,,,,,,,no,,no,1B74,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:07:41 2011",, chem_comp,chem_comp_KCX,6858,254482,KCX,,LYSINE NZ-CARBOXYLIC ACID,L-peptide linking,,KCX,no,1999-07-08,2011-06-04,REL,,LCX,K,KCX,,,,,,,,,,,LYS,,,,,,,0,,no,C7 H14 N2 O4,190.197,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:08:39 2011",, chem_comp,chem_comp_DAL,6858,254483,DAL,,D-ALANINE,D-peptide linking,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:09:35 2011",, chem_comp,chem_comp_CA,6862,254560,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:35:29 2011",, chem_comp,chem_comp_ZN,6863,254577,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 6 11:47:31 2011",, chem_comp,chem_comp_ZN,6947,255984,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_NH2,6870,254730,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_IDS,6875,254811,IDS,PDB,2-O-sulfo-alpha-L-idopyranuronic acid,SACCHARIDE,IDS,IDS,no,2012-04-05,2012-04-05,REL,,2SI,,IDS,27,17,,,,"InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1",,,,,,,,,,,O2-SULFO-GLUCURONIC ACID,0,,no,C6 H10 O10 S,274.203,,,,,,,,,,,,,,,,,no,,no,1HPN,RCSB,,,,, chem_comp,chem_comp_GNS,6875,254812,GNS,PDB,N-SULFO-ALPHA-D-GLUCOSAMINE,NON-POLYMER,GNS,GNS,no,2012-04-05,2012-04-05,REL,,,,GNS,29,16,,,,"InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1",,,,,,,,,,,,0,,no,C6 H13 N O8 S,259.234,,,,,,,,,,,,,,,,,no,Corina,no,2ERM,RCSB,,,,, chem_comp,chem_comp_IDR,6875,254813,IDR,PDB,L-IDURONIC ACID,L-SACCHARIDE,IDR,IDR,no,2012-04-05,2012-04-05,REL,,,,IDR,23,13,,,,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1",,,,,,,,,,,,0,,no,C6 H10 O7,194.139,,,,,,,,,,,,,,,,,no,,no,1HM2,RCSB,,,,, chem_comp,chem_comp_NGY,6875,254814,NGY,PDB,2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose,D-SACCHARIDE,NGY,NGY,no,2012-04-05,2012-04-05,REL,,,,NGY,34,19,,,,"InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1",,,,,,,,,,,Sulfated glycosaminoglycan,0,,no,C8 H15 N O9 S,301.271,,,,,,,,,,,,,,,,,no,Corina,no,2ERM,RCSB,,,,, chem_comp,chem_comp_IPA,6875,254815,IPA,PDB,ISOPROPYL ALCOHOL,NON-POLYMER,IPA,IPA,no,2012-04-05,2012-04-05,REL,,IOH,,IPA,12,4,,,,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",,,,,,,,,,,2-PROPANOL,0,,no,C3 H8 O,60.095,,,,,,,,,,,,,,,,,no,Corina,no,1DY5,EBI,,,,, chem_comp,chem_comp_FLN,6888,255038,FLN,,2-PHENYL-4H-CHROMEN-4-ONE,non-polymer,,FLN,,2006-02-15,2011-06-04,REL,,,,FLN,,,,,,,,,,,,,,,,,FLAVONE,0,,yes,C15 H10 O2,222.239,,,,,,,,,,,,,,,,,no,,no,2G0L,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 13:57:27 2011",, chem_comp,chem_comp_HYP,6891,255093,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,2012-11-20,2012-11-20,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_NH2,6891,255094,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,2012-04-05,2012-04-05,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_NLW,6892,255112,NLW,PDB,L-leucinamide,L-PEPTIDE LINKING,NLW,NLW,no,2016-07-29,2016-07-29,REL,,,L,NLW,23,9,,,,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",,,,,Leu,,,,,,,0,,no,C6 H14 N2 O,130.188,,,,,,,,,,,,,,,,,no,Corina,no,5EXC,EBI,,,,, chem_comp,chem_comp_SEC,6896,255198,SEC,PDB,2-AMINO-3-SELENINO-PROPIONIC ACID,L-peptide linking,,SEC,no,1999-07-08,2011-06-04,REL,,,A,SEC,,,,,,,,,,,ALA,,,,,,,0,,no,C3 H7 N O4 Se,200.052,,,,,,,,,,,,,,,,,no,,no,1SEL,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 14:23:35 2011",, chem_comp,chem_comp_SEC,6897,255217,SEC,PDB,2-AMINO-3-SELENINO-PROPIONIC ACID,L-peptide linking,,SEC,no,1999-07-08,2011-06-04,REL,,,A,SEC,,,,,,,,,,,ALA,,,,,,,0,,no,C3 H7 N O4 Se,200.052,,,,,,,,,,,,,,,,,no,,no,1SEL,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 14:23:35 2011",, chem_comp,chem_comp_CA,6904,255351,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_ZN,6905,255371,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_CD,6909,255430,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 12:08:08 2011",, chem_comp,chem_comp_ZN,6916,255537,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011",, chem_comp,chem_comp_CA,6918,255570,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 13:46:04 2011",, chem_comp,chem_comp_HEM,6921,255616,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 14:27:01 2011",, chem_comp,chem_comp_PCA,6924,255660,PCA,,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,,PCA,no,1999-07-08,2011-06-04,REL,,PCC,E,PCA,,,,,,,,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 1 10:14:50 2011",, chem_comp,chem_comp_EPP,6935,255813,EPP,,DIETHYL P-NITROPHENYL PHOSPHATE,non-polymer,,EPP,no,1999-07-08,2011-06-04,HOLD,,,,EPP,,,,,,,,,,,,,,,,,,0,,yes,C10 H14 N O6 P,275.195,,,,,,,,,,,,,,,,,yes,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 1 13:00:38 2011",, chem_comp,chem_comp_DAB,6941,255892,DAB,,"2,4-DIAMINOBUTYRIC ACID",L-PEPTIDE LINKING,,DAB,no,1999-07-08,2011-06-04,REL,,,A,DAB,,,,,,,,,,,ALA,,,,,,,0,,no,C4 H10 N2 O2,118.134,,,,,,,,,,,,,,,,,no,,no,1B4H,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 2 12:08:45 2011",, chem_comp,chem_comp_ORN,6941,255893,ORN,,L-ornithine,L-PEPTIDE LINKING,,ORN,no,1999-07-08,2011-06-04,REL,,,A,ORN,,,,,,,,,,,ALA,,,,,,,0,,no,C5 H12 N2 O2,132.161,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 2 12:10:20 2011",, chem_comp,chem_comp_CA,6942,255908,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011",, chem_comp,chem_comp_ZN,6944,255937,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2008-12-05,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011",, chem_comp,chem_comp_PNS,6962,256196,PNS,,4'-PHOSPHOPANTETHEINE,non-polymer,,PNS,no,1999-07-08,2011-06-04,REL,,,,PNS,,,,,,,,,,,,,,,,,,0,,no,C11 H23 N2 O7 P S,358.348,,,,,,,,,,,,,,,,,no,,no,,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 7 14:17:31 2011",, chem_comp,chem_comp_DKA,6962,256197,DKA,,DECANOIC ACID,non-polymer,,DKA,no,2000-07-17,2011-06-04,REL,,CRC,,DKA,,,,,,,,,,,,,,,,,,0,,no,C10 H20 O2,172.265,,,,,,,,,,,,,,,,,no,,no,1E7E,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 7 14:18:25 2011",, chem_comp,chem_comp_CU1,6965,256249,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 23:21:43 2011",, chem_comp,chem_comp_CU,6965,256250,CU,,COPPER (II) ION,non-polymer,,CU,no,1999-07-08,2011-06-04,REL,,,,CU,,,,,,,,,,,,,,,,,,2,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 23:20:36 2011",, chem_comp,chem_comp_HEM,6966,256268,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 23:35:18 2011",, chem_comp,chem_comp_HEM,6967,256285,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 23:46:44 2011",, chem_comp,chem_comp_GTP,6970,256332,GTP,,GUANOSINE-5'-TRIPHOSPHATE,RNA LINKING,,GTP,no,1999-07-08,2011-06-04,REL,,,G,GTP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H16 N5 O14 P3,523.180,,,,,,,,,,,,,,,,,no,,no,1QRA,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 15 00:08:47 2011",, chem_comp,chem_comp_MG,6970,256333,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 15 00:10:18 2011",, chem_comp,chem_comp_P5P,6979,256436,P5P,,PURINE RIBOSIDE-5'-MONOPHOSPHATE,RNA LINKING,,P5P,no,1999-07-08,2011-06-04,REL,,,A,P5P,,,,,,,,,,,A,,,,,,,0,,yes,C10 H13 N4 O7 P,332.207,,,,,,,,,,,,,,,,,no,,no,1RBN,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 14:27:51 2011",, chem_comp,chem_comp_CA,6980,256457,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 14:39:19 2011",, chem_comp,chem_comp_HEM,6983,256504,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:04:12 2011",, chem_comp,chem_comp_AZI,6983,256505,AZI,,AZIDE ION,non-polymer,,AZI,no,1999-07-08,2011-06-04,REL,,,,AZI,,,,,,,,,,,,,,,,,,-1,,no,N3,42.020,,,,,,,,,,,,,,,,,no,,no,1YAZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:05:26 2011",, chem_comp,chem_comp_CMP,6984,256520,CMP,,"ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE",non-polymer,,CMP,no,1999-07-08,2011-06-04,REL,,,,CMP,,,,,,,,,,,,,,,,,CYCLIC AMP; CAMP,0,,yes,C10 H12 N5 O6 P,329.206,,,,,,,,,,,,,,,,,no,,no,1RUN,PDBe,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:53:33 2011",, chem_comp,chem_comp_HEM,6987,256573,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 17:43:14 2011",, chem_comp,chem_comp_CYN,6987,256574,CYN,,CYANIDE ION,non-polymer,,CYN,no,1999-07-08,2011-06-04,REL,,CN,,CYN,,,,,,,,,,,,,,,,,,-1,,no,C N,26.017,,,,,,,,,,,,,,,,,no,,no,1B0B,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 17:41:52 2011",, chem_comp,chem_comp_NAG,6992,256665,NAG,PDB,N-ACETYL-D-GLUCOSAMINE,D-SACCHARIDE,,NAG,no,1999-07-08,2011-07-01,REL,,,,NAG,,,,,,,,,,,,,,,,,,0,,no,C8 H15 N O6,221.208,,,,,,,,,,,,,,,,,no,,no,8PCH,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 18:34:43 2011",, chem_comp,chem_comp_NAM,6992,256666,NAM,PDB,NAM NAPTHYLAMINOALANINE,L-PEPTIDE LINKING,,NAM,no,1999-07-08,2011-08-06,OBS,,,A,NAM,,,,,,,,,,,ALA,,,,,,,0,,yes,C13 H14 N2 O,214.263,,,,,,,,,,,,,,,,,no,,no,2FIV,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 18:35:23 2011",, chem_comp,chem_comp_DAL,6992,256667,DAL,PDB,D-ALANINE,D-PEPTIDE LINKING,,DAL,no,1999-07-08,2011-06-04,REL,,,A,DAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 18:36:12 2011",, chem_comp,chem_comp_DGL,6992,256668,DGL,PDB,D-GLUTAMIC ACID,D-PEPTIDE LINKING,,DGL,no,1999-07-07,2011-06-04,REL,,,E,DGL,,,,,,,,,,,,,,,,,,0,,no,C5 H9 N O4,147.129,,,,,,,,,,,,,,,,,no,,no,1CZQ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 18:37:47 2011",, chem_comp,chem_comp_SEP,6993,256686,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 18:48:16 2011",, chem_comp,chem_comp_GDP,6995,256703,GDP,,GUANOSINE-5'-DIPHOSPHATE,RNA LINKING,,GDP,no,1999-07-08,2011-06-04,REL,,,G,GDP,,,,,,,,,,,G,,,,,,,0,,yes,C10 H15 N5 O11 P2,443.201,,,,,,,,,,,,,,,,,no,,no,1EK0,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 19:06:23 2011",, chem_comp,chem_comp_SEP,6996,256722,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 19:13:50 2011",, chem_comp,chem_comp_CA,7425,263819,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_MLZ,6997,256740,MLZ,,N-METHYL-LYSINE,L-PEPTIDE LINKING,,MLZ,no,1999-07-08,2011-06-04,REL,,,K,MLZ,,,,,,,,,,,LYS,,,,,,,0,,no,C7 H16 N2 O2,160.214,,,,,,,,,,,,,,,,,yes,,no,1XER,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 17:19:45 2011",, chem_comp,chem_comp_SAH,6997,256741,SAH,,S-ADENOSYL-L-HOMOCYSTEINE,L-PEPTIDE LINKING,,SAH,no,1999-07-08,2011-06-04,REL,,,C,SAH,,,,,,,,,,,CYS,,,,,,,0,,yes,C14 H20 N6 O5 S,384.411,,,,,,,,,,,,,,,,,no,,no,1VP9,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 17:18:30 2011",, chem_comp,chem_comp_SEP,6998,256757,SEP,PDB,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 17:31:44 2011",, chem_comp,chem_comp_PCA,7,256788,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,7,256789,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_ACE,7001,256828,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 12:06:44 2011",, chem_comp,chem_comp_SEP,7001,256829,SEP,,PHOSPHOSERINE,L-PEPTIDE LINKING,,SEP,no,1999-07-08,2011-06-04,REL,,,S,SEP,,,,,,,,,,,SER,,,,,,PHOSPHONOSERINE,0,,no,C3 H8 N O6 P,185.072,,,,,,,,,,,,,,,,,no,,no,1BX6,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 12:10:03 2011",, chem_comp,chem_comp_NH2,7001,256830,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 12:16:40 2011",, chem_comp,chem_comp_NH2,7005,256882,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_NH2,7006,256904,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_CA,7008,256949,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_CA,7009,256971,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011",, chem_comp,chem_comp_NH2,7010,256992,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_CA,7015,257082,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,7016,257107,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_CA,7017,257127,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,2012-11-20,2012-11-20,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_ZN,7034,257423,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:58:40 2011",, chem_comp,chem_comp_PTR,7061,257724,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 12:29:47 2011",, chem_comp,chem_comp_CD,7066,257810,CD,,CADMIUM ION,non-polymer,,CD,no,1999-07-08,2011-06-04,REL,,,,CD,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 21 08:58:59 2011",, chem_comp,chem_comp_CU1,7068,257857,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011",, chem_comp,chem_comp_ZN,7074,258012,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 22 16:28:36 2011",, chem_comp,chem_comp_ZN,7089,258307,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:25:14 2011",, chem_comp,chem_comp_CA,7089,258308,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:25:44 2011",, chem_comp,chem_comp_TSA,7093,258366,TSA,,"8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID",non-polymer,,TSA,no,1999-07-08,2011-06-04,REL,,BAR,,TSA,,,,,,,,,,,,,,,,,,0,,no,C10 H12 O6,228.199,,,,,,,,,,,,,,,,,no,,no,1ECM,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 4 15:31:47 2011",, chem_comp,BMS4,7107,258598,BMS4,,BMS-480404,non-polymer,BMS4,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,C22 H17 Cl2 O5,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_BCD,7114,258707,BCD,,BETA-CYCLODEXTRIN,SACCHARIDE,,BCD,no,1999-07-08,2011-06-04,REL,,,,BCD,,,,,,,,,,,,,,,,,CYCLO-HEPTA-AMYLOSE,0,,no,C42 H70 O35,1134.984,,,,,,,,,,,,,,,,,no,,no,1DMB,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:53:22 2012",, chem_comp,chem_comp_ZN,7124,258879,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012",, chem_comp,HEM_red,7125,258896,HEM_red,,PROTOPORPHYRIN IX CONTAINING FE,fragment,HEM_red,HEM,,,,,,,,,,,,,,,,,,,,,,,,,,,no,yes,C34 H32 N4 O4 FE1,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_CBP,7141,259161,CBP,PDB,2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE,NON-POLYMER,CBP,CBP,no,2012-11-20,2012-11-20,REL,,345,,CBP,48,28,,,,"InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)",,,,,,,,,,,,0,,yes,C19 H20 Cl N O6 S,425.883,,,,,,,,,,,,,,,,,no,,no,1CXV,RCSB,,,,, chem_comp,chem_comp_PTR,7150,259228,PTR,,O-PHOSPHOTYROSINE,L-PEPTIDE LINKING,,PTR,no,1999-07-08,2011-06-04,REL,,,Y,PTR,,,,,,,,,,,TYR,,,,,,PHOSPHONOTYROSINE,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:56:44 2012",, chem_comp,chem_comp_ZN,7158,259351,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012",, chem_comp,chem_comp_HYP,7166,259442,HYP,PDB,4-HYDROXYPROLINE,L-PEPTIDE LINKING,HYP,HYP,no,1999-07-08,2011-12-14,REL,,,P,HYP,18,9,,,,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,Corina,no,,PDBJ,,,,, chem_comp,chem_comp_ZN,7174,259564,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012",, chem_comp,chem_comp_NH2,7177,259606,NH2,PDB,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 13:59:18 2011",, chem_comp,chem_comp_CA,7190,259827,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:34:29 2012",, chem_comp,chem_comp_ZN,7194,259894,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012",, chem_comp,chem_comp_MTX,7196,259919,MTX,,METHOTREXATE,non-polymer,,MTX,no,1999-07-08,2011-06-04,REL,,,,MTX,,,,,,,,,,,,,,,,,,0,,yes,C20 H22 N8 O5,454.439,,,,,,,,,,,,,,,,,no,,no,4DFR,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:02:44 2012",, chem_comp,Bdm-4-6,7199,259935,,,"brodimoprim-4,6-dicarboxylate",complete,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,no,no,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_TOP,7200,259951,TOP,,TRIMETHOPRIM,non-polymer,,TOP,no,1999-07-08,2011-06-04,REL,,,,TOP,,,,,,,,,,,,,,,,,,0,,yes,C14 H18 N4 O3,290.318,,,,,,,,,,,,,,,,,no,,no,1DYR,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 14:57:22 2011",, chem_comp,chem_comp_ZN,7210,260188,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:34:53 2011",, chem_comp,chem_comp_EAB,7232,260755,EAB,,(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID,non-polymer,,EAB,no,2006-06-01,2011-06-04,REL,,,,EAB,,,,,,,,,,,,,,,,,,0,,yes,C15 H15 N3 O2,269.299,,,,,,,,,,,,,,,,,no,,yes,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 16:45:54 2011",, chem_comp,chem_comp_NH2,7232,260756,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 16:42:51 2011",, chem_comp,chem_comp_EAB,7233,260777,EAB,,(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID,non-polymer,,EAB,no,2006-06-01,2011-06-04,REL,,,,EAB,,,,,,,,,,,,,,,,,,0,,yes,C15 H15 N3 O2,269.299,,,,,,,,,,,,,,,,,no,,yes,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 16:45:54 2011",, chem_comp,chem_comp_NH2,7233,260778,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 16:42:51 2011",, chem_comp,chem_comp_BG6,7234,260806,BG6,,BETA-D-GLUCOSE-6-PHOSPHATE,non-polymer,,BG6,no,2000-08-29,2011-06-04,REL,,,,BG6,,,,,,,,,,,,,,,,,,0,,no,C6 H13 O9 P,260.136,,,,,,,,,,,,,,,,,no,,no,1E77,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 20 17:56:00 2011",, chem_comp,chem_comp_MGF,7234,260807,MGF,,TRIFLUOROMAGNESATE,non-polymer,,MGF,no,2003-04-01,2011-06-04,REL,,,,MGF,,,,,,,,,,,,,,,,,,-1,,no,F3 Mg,81.300,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 20 17:57:51 2011",, chem_comp,chem_comp_MG,7235,260834,MG,,MAGNESIUM ION,non-polymer,,MG,no,1999-07-08,2011-06-04,REL,,,,MG,,,,,,,,,,,,,,,,,,2,,no,Mg,24.305,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 14:26:06 2011",, chem_comp,chem_comp_NH2,7245,261044,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 15:45:54 2011",, chem_comp,chem_comp_ZN,7247,261087,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 15:52:56 2011",, chem_comp,chem_comp_CA,7263,261446,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 12:55:05 2011",, chem_comp,chem_comp_CA,7293,262018,CA,PDB,CALCIUM ION,NON-POLYMER,CA,CA,no,1999-07-08,2011-12-14,REL,,,,CA,1,1,,,,InChI=1S/Ca/q+2,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_DTY,7294,262039,DTY,,D-TYROSINE,D-PEPTIDE LINKING,,DTY,no,1999-07-08,2011-06-04,REL,,,Y,DTY,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O3,181.189,,,,,,,,,,,,,,,,,yes,,no,1UNO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:44:13 2011",, chem_comp,chem_comp_DSN,7294,262040,DSN,,D-SERINE,D-PEPTIDE LINKING,,DSN,no,1999-07-08,2011-06-04,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:45:01 2011",, chem_comp,chem_comp_DSG,7294,262041,DSG,,D-ASPARAGINE,D-PEPTIDE LINKING,,DSG,no,2004-06-28,2011-06-04,REL,,,N,DSG,,,,,,,,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:45:55 2011",, chem_comp,chem_comp_AFC,7294,262042,AFC,,"(3R,12R)-3-amino-12-methyltetradecanoic acid",peptide-like,,AFC,no,2006-09-27,2011-06-04,REL,,,,AFC,,,,,,,,,,,,,,,,,,0,,no,C15 H31 N O2,257.412,,,,,,,,,,,,,,,,,no,,no,2IGZ,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:46:32 2011",, chem_comp,chem_comp_DTY,7295,262065,DTY,,D-TYROSINE,D-PEPTIDE LINKING,,DTY,no,1999-07-08,2011-06-04,REL,,,Y,DTY,,,,,,,,,,,,,,,,,,0,,yes,C9 H11 N O3,181.189,,,,,,,,,,,,,,,,,yes,,no,1UNO,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:44:13 2011",, chem_comp,chem_comp_DSN,7295,262066,DSN,,D-SERINE,D-PEPTIDE LINKING,,DSN,no,1999-07-08,2011-06-04,REL,,,S,DSN,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O3,105.093,,,,,,,,,,,,,,,,,yes,,no,1BFW,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:45:01 2011",, chem_comp,chem_comp_DSG,7295,262067,DSG,,D-ASPARAGINE,D-PEPTIDE LINKING,,DSG,no,2004-06-28,2011-06-04,REL,,,N,DSG,,,,,,,,,,,,,,,,,,0,,no,C4 H8 N2 O3,132.118,,,,,,,,,,,,,,,,,yes,,no,1T5M,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:45:55 2011",, chem_comp,chem_comp_BAL,7295,262068,BAL,,BETA-ALANINE,peptide-like,,BAL,no,1999-07-08,2011-06-04,REL,,,,BAL,,,,,,,,,,,,,,,,,,0,,no,C3 H7 N O2,89.093,,,,,,,,,,,,,,,,,no,,no,1MCE,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 11:58:38 2011",, chem_comp,chem_comp_HEM,7296,262090,HEM,,PROTOPORPHYRIN IX CONTAINING FE,non-polymer,,HEM,yes,1999-07-08,2009-08-11,REL,,MHM,,HEM,,,,,,,,,,,,,,,,,HEME,0,,yes,C34 H32 Fe N4 O4,616.487,,,,,,,,,,,,,,,,,no,,,3IA3,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:05:59 2011",, chem_comp,chem_comp_ZN,7297,262111,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:29:31 2011",, chem_comp,chem_comp_ZN,7298,262137,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:28:04 2011",, chem_comp,chem_comp_ACE,7299,262161,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:43:10 2011",, chem_comp,chem_comp_NH2,7299,262162,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:44:07 2011",, chem_comp,chem_comp_ACE,7306,262283,ACE,,ACETYL GROUP,non-polymer,,ACE,no,1999-07-08,2011-06-04,REL,,ACU,,ACE,,,,,,,,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 14:40:27 2011",, chem_comp,chem_comp_TZO,7308,262318,TZO,,"1,3-THIAZOLE-4-CARBOXYLIC ACID",l-peptide linking,,TZO,no,2000-11-02,2011-09-28,OBS,,,X,TZO,,,,,,,,,,,,,,,,,,0,,yes,C4 H3 N O2 S,129.137,,,,,,,,,,,,,,,,,no,,no,1E9W,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:03:21 2011",, chem_comp,chem_comp_TZB,7308,262319,TZB,,"(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID",l-peptide linking,,TZB,no,2000-11-02,2011-06-04,REL,,,X,TZB,,,,,,,,,,,,,,,,,,0,,no,C7 H10 N2 O2 S,186.231,,,,,,,,,,,,,,,,,no,,no,1E9W,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:10:11 2011",, chem_comp,chem_comp_TSI,7308,262320,TSI,,"(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL",non-polymer,,TSI,no,2000-11-02,2011-06-04,REL,,,,TSI,,,,,,,,,,,,,,,,,,0,,no,C5 H13 N O2,119.162,,,,,,,,,,,,,,,,,no,,no,1E9W,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:12:06 2011",, chem_comp,chem_comp_XAA,7308,262321,XAA,,"(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)PROPAN-2-OL",non-polymer,,XAA,no,2000-11-02,2011-06-04,REL,,,,XAA,,,,,,,,,,,,,,,,,,0,,yes,C6 H10 N2 O S,158.221,,,,,,,,,,,,,,,,,no,,no,1E9W,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:13:15 2011",, chem_comp,chem_comp_QUA,7308,262322,QUA,,8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID,non-polymer,,QUA,no,2000-11-02,2011-06-04,REL,,,,QUA,,,,,,,,,,,,,,,,,,0,,yes,C12 H13 N O4,235.236,,,,,,,,,,,,,,,,,yes,,no,1E9W,PDBE,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:14:24 2011",, chem_comp,chem_comp_DHA,7308,262323,DHA,,2-AMINO-ACRYLIC ACID,PEPTIDE LINKING,,DHA,no,1999-11-22,2011-06-04,REL,,,S,DHA,,,,,,,,,,,SER,,,,,,"2,3-DIDEHYDROALANINE",0,,no,C3 H5 N O2,87.077,,,,,,,,,,,,,,,,,no,,no,1QOW,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:19:15 2011",, chem_comp,chem_comp_XBB,7308,262324,XBB,,"(3S)-2,3,4,5-TETRAHYDROPYRIDIN-3-AMINE",non-polymer,,XBB,no,2000-11-02,2011-06-04,REL,,,,XBB,,,,,,,,,,,,,,,,,,0,,no,C5 H10 N2,98.146,,,,,,,,,,,,,,,,,no,,no,1E9W,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:21:29 2011",, chem_comp,chem_comp_PYT,7308,262325,PYT,,2-AMINOPROP-2-ENAMIDE,non-polymer,,PYT,no,2000-11-02,2011-06-04,REL,,,,PYT,,,,,,,,,,,,,,,,,,0,,no,C3 H6 N2 O,86.093,,,,,,,,,,,,,,,,,no,,no,1E9W,EBI,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:23:29 2011",, chem_comp,chem_comp_MYR,7309,262342,MYR,PDB,MYRISTIC ACID,NON-POLYMER,MYR,MYR,no,2012-11-20,2012-11-20,REL,,,,MYR,44,16,,,,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",,,,,,,,,,,,0,,no,C14 H28 O2,228.371,,,,,,,,,,,,,,,,,no,,no,1ICM,RCSB,,,,, chem_comp,chem_comp_NH2,7311,262369,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 12:25:22 2011",, chem_comp,chem_comp_CA,7321,262581,CA,PDB,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 13:33:09 2011",, chem_comp,chem_comp_HYP,7341,262753,HYP,,4-HYDROXYPROLINE,l-peptide linking,,HYP,no,1999-07-08,2011-06-04,REL,,,P,HYP,,,,,,,,,,,PRO,,,,,,HYDROXYPROLINE,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:10:58 2011",, chem_comp,chem_comp_ZN,7342,262769,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:15:35 2011",, chem_comp,chem_comp_ZN,7352,262835,ZN,,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:15:35 2011",, chem_comp,chem_comp_TOLF,7357,262887,TOLF,,Tolfenamic acid,non_polymer,,,,,,,,,,,,,,,,,,,,,,,,,,,,0,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, chem_comp,chem_comp_NH2,7361,262982,NH2,,AMINO GROUP,non-polymer,,NH2,yes,1999-07-08,2008-10-14,REL,,,,NH2,,,,,,,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,,no,2FLY,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 11:54:24 2011",, chem_comp,chem_comp_CU1,7370,263093,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 12:54:33 2011",, chem_comp,chem_comp_CU1,7375,263131,CU1,,COPPER (I) ION,non-polymer,,CU1,no,1999-07-08,2011-06-04,REL,,,,CU1,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 12:54:33 2011",, chem_comp,chem_comp_ZN,7376,263148,ZN,PDB,ZINC ION,non-polymer,,ZN,no,1999-07-08,2011-06-04,REL,,,,ZN,,,,,,,,,,,,,,,,,,2,,no,Zn,65.409,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 14:15:35 2011",, chem_comp,chem_comp_HEC,7390,263317,HEC,,HEME C,non-polymer,,HEC,no,1999-07-08,2011-06-04,REL,,,,HEC,,,,,,,,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,,yes,1DY7,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:19:43 2011",, chem_comp,chem_comp_FES,7390,263318,FES,,FE2/S2 (INORGANIC) CLUSTER,non-polymer,,FES,no,1999-07-08,2011-06-04,REL,,,,FES,,,,,,,,,,,,,,,,,,0,,no,Fe2 S2,175.820,,,,,,,,,,,,,,,,,no,,no,1CZP,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:20:49 2011",, chem_comp,chem_comp_CU1,7406,263445,CU1,,COPPER (I) ION,non-polymer,,CU1,,,,,,,,,,,,,,,,,,,,,,,,,,1,,no,Cu,63.546,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:07:43 2007",, chem_comp,chem_comp_CD,7414,263571,CD,,CADMIUM ION,non-polymer,,CD,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:34:58 2007",, chem_comp,chem_comp_CD,7415,263591,CD,,CD (CADMIUM ION),non-polymer,,CD,,,,,,,,,,,,,,,,,,,,,,,,,,2,,no,Cd,112.411,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:34:58 2007",, chem_comp,chem_comp_CA,7416,263636,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 15:49:39 2011",, chem_comp,chem_comp_TB,7416,263637,TB,,TERBIUM(III) ION,non-polymer,,TB,no,1999-07-08,2011-06-04,REL,,,,TB,,,,,,,,,,,,,,,,,,3,,no,Tb,158.925,,,,,,,,,,,,,,,,,no,,no,,PDBJ,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 15:50:22 2011",, chem_comp,chem_comp_CA,7417,263659,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 15:55:33 2011",, chem_comp,chem_comp_DY,7417,263660,DY,,Dysprosium(III) ION,non-polymer,,DY,,,,,,,,,,,,,,,,,,,,,,,,,,3,,no,DY,162.50,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 02:45:51 2007",, chem_comp,chem_comp_CA,7418,263682,CA,,CALCIUM ION,non-polymer,,CA,no,1999-07-08,2011-06-04,REL,,,,CA,,,,,,,,,,,,,,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 16:43:25 2011",, chem_comp,chem_comp_TM,7418,263683,TM,,Thulium(III) ION,non-polymer,,TM,,,,,,,,,,,,,,,,,,,,,,,,,,3,,no,TM,168.934,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 02:45:51 2007",, chem_comp,chem_comp_LU,7422,263750,LU,,LUTETIUM (III) ION,non-polymer,,LU,,,,,,,,,,,,,,,,,,,,,LU,,,,,3,,no,Lu,174.967,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:43:54 2008",, chem_comp,chem_comp_CA,7423,263769,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_YB,7423,263770,YB,,YTTERBIUM (III) ION,non-polymer,,YB,,,,,,,,,,,,,,,,,,,,,YB,,,,,3,,no,Yb,173.040,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:20:10 2008",, chem_comp,chem_comp_CA,7424,263794,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,CA,,,,,2,,no,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008",, chem_comp,chem_comp_TB,7424,263795,TB,,TERBIUM(III) ION,non-polymer,,TB,,,,,,,,,,,,,,,,,,,,,TB,,,,,3,,no,Tb,158.925,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:58:45 2008",, chem_comp,chem_comp_TM,7425,263820,TM,,Tulium(III) ION,non-polymer,,TM,,,,,,,,,,,,,,,,,,,,,TM,,,,,3,,no,TM,158.925,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:58:45 2008",, chem_comp,chem_comp_PTR,7429,263887,PTR,,O-PHOSPHOTYROSINE,L-peptide linking,,PTR,,,,,,,,,,,,,,,,,,,,,PTR,,,,,0,,yes,C9 H12 N O6 P,261.168,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:35:21 2008",, chem_comp,chem_comp_HEC,758,264052,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,759,264067,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,760,264095,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,761,264110,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_NH2,779,264124,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_AYA,811,264240,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,812,264254,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,813,264268,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AYA,814,264282,AYA,PDB,N-ACETYLALANINE,L-PEPTIDE LINKING,AYA,AYA,no,1999-07-08,2011-12-14,REL,,,A,AYA,18,9,,,,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,ALA,,,,,,,0,,no,C5 H9 N O3,131.130,,,,,,,,,,,,,,,,,no,,no,1AH4,RCSB,,,,, chem_comp,chem_comp_AME,846,264348,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_ACE,86,264388,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,2012-11-20,2012-11-20,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_AIB,86,264389,AIB,PDB,ALPHA-AMINOISOBUTYRIC ACID,L-PEPTIDE LINKING,AIB,AIB,no,1999-07-08,2011-12-14,REL,,,A,AIB,16,7,,,,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",,,,,ALA,,,,,,,0,,no,C4 H9 N O2,103.120,,,,,,,,,,,,,,,,,no,,no,1AMT,RCSB,,,,, chem_comp,chem_comp_PHL,86,264390,PHL,PDB,L-PHENYLALANINOL,L-PEPTIDE LINKING,PHL,PHL,no,1999-07-08,2011-12-14,REL,,,F,PHL,24,11,,,,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",,,,,PHE,,,,,,,0,,yes,C9 H13 N O,151.206,,,,,,,,,,,,,,,,,no,Corina,no,1JOH,RCSB,,,,, chem_comp,chem_comp_PCA,87,264417,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_NH2,87,264418,NH2,PDB,AMINO GROUP,NON-POLYMER,NH2,NH2,yes,1999-07-08,2011-12-14,REL,,,,NH2,3,1,,,,InChI=1/H3N/h1H3,,,,,,,,,,,,0,,no,H2 N,16.023,,,,,,,,,,,,,,,,,no,OpenEye OEToolkits,no,2FLY,RCSB,,,,, chem_comp,chem_comp_HEC,877,264433,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,877,264434,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,878,264449,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,878,264450,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_PCA,9,264543,PCA,PDB,PYROGLUTAMIC ACID,L-PEPTIDE LINKING,PCA,PCA,no,1999-07-08,2011-12-14,REL,,PCC,E,PCA,16,9,,,,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",,,,,GLU,,,,,,,0,,no,C5 H7 N O3,129.114,,,,,,,,,,,,,,,,,no,,no,,RCSB,,,,, chem_comp,chem_comp_M3L,922,264738,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_HEC,922,264739,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,2012-11-20,2012-11-20,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,923,264755,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_M3L,923,264756,M3L,PDB,N-TRIMETHYLLYSINE,L-PEPTIDE LINKING,M3L,M3L,no,1999-07-08,2011-12-14,REL,,,K,M3L,34,13,,,,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",,,,,LYS,,,,,,,1,,no,C9 H21 N2 O2,189.275,,,,,,,,,,,,,,,,,no,,no,1IRV,RCSB,,,,, chem_comp,chem_comp_AME,934,264783,AME,PDB,N-ACETYLMETHIONINE,NON-POLYMER,AME,AME,no,2000-05-11,2011-12-14,REL,,,,AME,25,12,,,,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",,,,,,,,,,,,0,,no,C7 H13 N O3 S,191.248,,,,,,,,,,,,,,,,,no,,no,1SJA,EBI,,,,, chem_comp,chem_comp_AAC,944,264863,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,944,264864,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,946,264892,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,946,264893,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,947,264908,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,947,264909,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,948,264924,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,948,264925,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_AAC,949,264940,AAC,PDB,ACETYLAMINO-ACETIC ACID,NON-POLYMER,AAC,AAC,no,1999-07-16,2011-12-14,REL,,,,AAC,15,8,,,,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",,,,,,,,,,,,0,,no,C4 H7 N O3,117.103,,,,,,,,,,,,,,,,,no,,no,1QD8,EBI,,,,, chem_comp,chem_comp_HEC,949,264941,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_CA,9500,264970,CA,,CALCIUM ION,non-polymer,,CA,,,,,,,,,,,,,,,,,,,,,,,,,,2,,,Ca,40.078,,,,,,,,,,,,,,,,,,,,,,,,"Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:01:48 2006",, chem_comp,chem_comp_HEC,968,265132,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,969,265147,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_ACE,97,265161,ACE,PDB,ACETYL GROUP,NON-POLYMER,ACE,ACE,no,1999-07-08,2011-12-14,REL,,ACU,,ACE,7,3,,,,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",,,,,,,,,,,,0,,no,C2 H4 O,44.053,,,,,,,,,,,,,,,,,no,,no,,EBI,,,,, chem_comp,chem_comp_HEC,970,265176,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,, chem_comp,chem_comp_HEC,971,265192,HEC,PDB,HEME C,NON-POLYMER,HEC,HEC,no,1999-07-08,2011-12-14,REL,,,,HEC,77,43,,,,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;",,,,,,,,,,,,0,,yes,C34 H34 Fe N4 O4,618.503,,,,,,,,,,,,,,,,,no,not provided,yes,1DY7,RCSB,,,,,