eF-site ID 4zzz-A PDB Code 4zzz Chain A click to enlarge Title Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor Classification TRANSFERASE Compound POLY [ADP-RIBOSE] POLYMERASE 1 Source (PARP1_HUMAN) Sequence A:  KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKL SKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIP HDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGG SDKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHAT THNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGS RTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKS ANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKG KHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSL LYNEYIVYDIAQVNLKYLLKLKFNFKTSLW Description (1)  POLY [ADP-RIBOSE] POLYMERASE 1 (E.C.2.4.2.30) Functional site 1) chain A residue 903 type sequence K description BINDING SITE FOR RESIDUE SO4 A 2015 source : AC2 2) chain A residue 984 type sequence L description BINDING SITE FOR RESIDUE SO4 A 2015 source : AC2 3) chain A residue 985 type sequence L description BINDING SITE FOR RESIDUE SO4 A 2015 source : AC2 4) chain A residue 986 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 2015 source : AC2 5) chain A residue 858 type sequence R description BINDING SITE FOR RESIDUE SO4 A 2016 source : AC3 6) chain A residue 929 type sequence M description BINDING SITE FOR RESIDUE SO4 A 2016 source : AC3 7) chain A residue 949 type sequence K description BINDING SITE FOR RESIDUE SO4 A 2016 source : AC3 8) chain A residue 766 type sequence D description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 9) chain A residue 879 type sequence I description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 10) chain A residue 880 type sequence A description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 11) chain A residue 889 type sequence Y description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 12) chain A residue 893 type sequence K description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 13) chain A residue 894 type sequence G description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 14) chain A residue 896 type sequence Y description BINDING SITE FOR RESIDUE GOL A 2017 source : AC4 15) chain A residue 890 type sequence M description BINDING SITE FOR RESIDUE GOL A 2018 source : AC5 16) chain A residue 896 type sequence Y description BINDING SITE FOR RESIDUE GOL A 2018 source : AC5 17) chain A residue 903 type sequence K description BINDING SITE FOR RESIDUE GOL A 2018 source : AC5 18) chain A residue 984 type sequence L description BINDING SITE FOR RESIDUE GOL A 2018 source : AC5 19) chain A residue 988 type sequence E description BINDING SITE FOR RESIDUE GOL A 2018 source : AC5 20) chain A residue 862 type sequence H description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 21) chain A residue 863 type sequence G description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 22) chain A residue 896 type sequence Y description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 23) chain A residue 897 type sequence F description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 24) chain A residue 904 type sequence S description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 25) chain A residue 907 type sequence Y description BINDING SITE FOR RESIDUE FSU A 2019 source : AC8 26) 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 27) chain A residue 862 type BINDING sequence H description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 28) chain A residue 871 type BINDING sequence G description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 29) chain A residue 878 type BINDING sequence R description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 30) chain A residue 904 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 31) 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 32) 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

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