eF-site ID 4zzz-B PDB Code 4zzz Chain B 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 B:  KLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSK RQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHD FGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGDP IDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAY DLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNF AGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCH TSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVK GLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEY IVYDIAQVNLKYLLKLKFNFKT Description (1)  POLY [ADP-RIBOSE] POLYMERASE 1 (E.C.2.4.2.30) Functional site 1) chain B residue 903 type sequence K description BINDING SITE FOR RESIDUE SO4 B 2012 source : AC1 2) chain B residue 984 type sequence L description BINDING SITE FOR RESIDUE SO4 B 2012 source : AC1 3) chain B residue 985 type sequence L description BINDING SITE FOR RESIDUE SO4 B 2012 source : AC1 4) chain B residue 986 type sequence Y description BINDING SITE FOR RESIDUE SO4 B 2012 source : AC1 5) chain B residue 890 type sequence M description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 6) chain B residue 896 type sequence Y description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 7) chain B residue 903 type sequence K description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 8) chain B residue 907 type sequence Y description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 9) chain B residue 984 type sequence L description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 10) chain B residue 988 type sequence E description BINDING SITE FOR RESIDUE GOL B 2013 source : AC6 11) chain B residue 858 type sequence R description BINDING SITE FOR RESIDUE SO4 B 2014 source : AC7 12) chain B residue 929 type sequence M description BINDING SITE FOR RESIDUE SO4 B 2014 source : AC7 13) chain B residue 949 type sequence K description BINDING SITE FOR RESIDUE SO4 B 2014 source : AC7 14) chain B residue 862 type sequence H description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 15) chain B residue 863 type sequence G description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 16) chain B residue 896 type sequence Y description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 17) chain B residue 897 type sequence F description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 18) chain B residue 904 type sequence S description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 19) chain B residue 907 type sequence Y description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 20) chain B residue 988 type sequence E description BINDING SITE FOR RESIDUE FSU B 2015 source : AC9 21) 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 22) 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 23) chain B residue 862 type BINDING sequence H description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 24) chain B residue 871 type BINDING sequence G description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 25) chain B residue 878 type BINDING sequence R description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 26) chain B residue 904 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2

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