eF-site ID 6ghk-AB PDB Code 6ghk Chain A, B click to enlarge Title Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527 Classification TRANSFERASE Compound Poly [ADP-ribose] polymerase 1 Source (PARP1_HUMAN) Sequence A:  MKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGK LSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLI PHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRG GSSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTH ANAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSR TTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSA NYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGK HSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLL YNEYIVYDIAQVNLKYLLKLKFNFKTAHHH B:  MKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGK LSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLI PHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRG GSSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTH ATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWH GSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVS KSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLP KGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDT SLLYNEYIVYDIAQVNLKYLLKLKFNFKTAHHHHH Description Functional site 1) chain A residue 710 type sequence Y description binding site for residue EZ2 A 1101 source : AC1 2) chain A residue 766 type sequence D description binding site for residue EZ2 A 1101 source : AC1 3) chain A residue 769 type sequence L description binding site for residue EZ2 A 1101 source : AC1 4) chain A residue 862 type sequence H description binding site for residue EZ2 A 1101 source : AC1 5) chain A residue 863 type sequence G description binding site for residue EZ2 A 1101 source : AC1 6) chain A residue 878 type sequence R description binding site for residue EZ2 A 1101 source : AC1 7) chain A residue 879 type sequence I description binding site for residue EZ2 A 1101 source : AC1 8) chain A residue 880 type sequence A description binding site for residue EZ2 A 1101 source : AC1 9) chain A residue 889 type sequence Y description binding site for residue EZ2 A 1101 source : AC1 10) chain A residue 894 type sequence G description binding site for residue EZ2 A 1101 source : AC1 11) chain A residue 896 type sequence Y description binding site for residue EZ2 A 1101 source : AC1 12) chain A residue 897 type sequence F description binding site for residue EZ2 A 1101 source : AC1 13) chain A residue 904 type sequence S description binding site for residue EZ2 A 1101 source : AC1 14) chain A residue 907 type sequence Y description binding site for residue EZ2 A 1101 source : AC1 15) chain A residue 988 type sequence E description binding site for residue EZ2 A 1101 source : AC1 16) chain A residue 702 type sequence S description binding site for residue SO4 A 1102 source : AC2 17) chain A residue 703 type sequence K description binding site for residue SO4 A 1102 source : AC2 18) chain A residue 704 type sequence R description binding site for residue SO4 A 1102 source : AC2 19) chain B residue 798 type sequence K description binding site for residue SO4 A 1102 source : AC2 20) chain B residue 875 type sequence Q description binding site for residue SO4 A 1102 source : AC2 21) chain A residue 865 type sequence R description binding site for residue SO4 A 1103 source : AC3 22) chain A residue 906 type sequence N description binding site for residue SO4 A 1103 source : AC3 23) chain A residue 909 type sequence H description binding site for residue SO4 A 1103 source : AC3 24) chain B residue 1012 type sequence A description binding site for residue SO4 A 1103 source : AC3 25) chain B residue 1013 type sequence H description binding site for residue SO4 A 1103 source : AC3 26) chain A residue 1012 type sequence A description binding site for residue SO4 A 1104 source : AC4 27) chain A residue 1013 type sequence H description binding site for residue SO4 A 1104 source : AC4 28) chain B residue 865 type sequence R description binding site for residue SO4 A 1104 source : AC4 29) chain B residue 906 type sequence N description binding site for residue SO4 A 1104 source : AC4 30) chain B residue 909 type sequence H description binding site for residue SO4 A 1104 source : AC4 31) chain A residue 903 type sequence K description binding site for residue SO4 A 1105 source : AC5 32) chain A residue 984 type sequence L description binding site for residue SO4 A 1105 source : AC5 33) chain A residue 985 type sequence L description binding site for residue SO4 A 1105 source : AC5 34) chain A residue 986 type sequence Y description binding site for residue SO4 A 1105 source : AC5 35) chain B residue 1014 type sequence H description binding site for residue SO4 A 1105 source : AC5 36) chain B residue 1016 type sequence H description binding site for residue SO4 A 1105 source : AC5 37) chain B residue 710 type sequence Y description binding site for residue EZ2 B 1101 source : AC6 38) chain B residue 766 type sequence D description binding site for residue EZ2 B 1101 source : AC6 39) chain B residue 862 type sequence H description binding site for residue EZ2 B 1101 source : AC6 40) chain B residue 863 type sequence G description binding site for residue EZ2 B 1101 source : AC6 41) chain B residue 878 type sequence R description binding site for residue EZ2 B 1101 source : AC6 42) chain B residue 880 type sequence A description binding site for residue EZ2 B 1101 source : AC6 43) chain B residue 881 type sequence P description binding site for residue EZ2 B 1101 source : AC6 44) chain B residue 889 type sequence Y description binding site for residue EZ2 B 1101 source : AC6 45) chain B residue 894 type sequence G description binding site for residue EZ2 B 1101 source : AC6 46) chain B residue 896 type sequence Y description binding site for residue EZ2 B 1101 source : AC6 47) chain B residue 897 type sequence F description binding site for residue EZ2 B 1101 source : AC6 48) chain B residue 904 type sequence S description binding site for residue EZ2 B 1101 source : AC6 49) chain B residue 907 type sequence Y description binding site for residue EZ2 B 1101 source : AC6 50) chain B residue 988 type sequence E description binding site for residue EZ2 B 1101 source : AC6 51) chain A residue 798 type sequence K description binding site for residue SO4 B 1102 source : AC7 52) chain A residue 875 type sequence Q description binding site for residue SO4 B 1102 source : AC7 53) chain B residue 702 type sequence S description binding site for residue SO4 B 1102 source : AC7 54) chain B residue 703 type sequence K description binding site for residue SO4 B 1102 source : AC7 55) chain B residue 704 type sequence R description binding site for residue SO4 B 1102 source : AC7 56) chain A residue 1014 type sequence H description binding site for residue SO4 B 1103 source : AC8 57) chain B residue 903 type sequence K description binding site for residue SO4 B 1103 source : AC8 58) chain B residue 984 type sequence L description binding site for residue SO4 B 1103 source : AC8 59) chain B residue 985 type sequence L description binding site for residue SO4 B 1103 source : AC8 60) chain B residue 986 type sequence Y description binding site for residue SO4 B 1103 source : AC8 61) chain A residue 988 type ACT_SITE sequence E description For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851 source Swiss-Prot : SWS_FT_FI1 62) chain B residue 988 type ACT_SITE sequence E description For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851 source Swiss-Prot : SWS_FT_FI1 63) chain A residue 862 type BINDING sequence H description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 64) chain A residue 871 type BINDING sequence G description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 65) chain A residue 878 type BINDING sequence R description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 66) chain A residue 904 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 67) chain B residue 862 type BINDING sequence H description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 68) chain B residue 871 type BINDING sequence G description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 69) chain B residue 878 type BINDING sequence R description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 70) chain B residue 904 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 71) chain A residue 782 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI3 72) chain B residue 782 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI3 73) chain A residue 786 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 74) chain B residue 786 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 75) chain A residue 748 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733 source Swiss-Prot : SWS_FT_FI5 76) chain B residue 748 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733 source Swiss-Prot : SWS_FT_FI5

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