eF-site ID 4pjt-A PDB Code 4pjt Chain A click to enlarge Title Structure of PARP1 catalytic domain bound to inhibitor BMN 673 Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Poly [ADP-ribose] polymerase 1 Source Homo sapiens (Human) (PARP1_HUMAN) Sequence A:  KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKL SKRQIQAAYSILSEVQQAVSQDSQILDLSNRFYTLIPHDF KPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGSKDPIDV NYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLE VIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGI LSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQ GDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLG KTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVY DIAQVNLKYLLKLKFNFK Description Functional site 1) chain A residue 903 type sequence K description binding site for residue SO4 A 1101 source : AC1 2) chain A residue 984 type sequence L description binding site for residue SO4 A 1101 source : AC1 3) chain A residue 985 type sequence L description binding site for residue SO4 A 1101 source : AC1 4) chain A residue 986 type sequence Y description binding site for residue SO4 A 1101 source : AC1 5) chain A residue 858 type sequence R description binding site for residue SO4 A 1102 source : AC2 6) chain A residue 929 type sequence M description binding site for residue SO4 A 1102 source : AC2 7) chain A residue 949 type sequence K description binding site for residue SO4 A 1102 source : AC2 8) chain A residue 841 type sequence R description binding site for residue SO4 A 1103 source : AC3 9) chain A residue 843 type sequence G description binding site for residue SO4 A 1103 source : AC3 10) chain A residue 845 type sequence C description binding site for residue SO4 A 1103 source : AC3 11) chain A residue 846 type sequence Q description binding site for residue SO4 A 1103 source : AC3 12) chain A residue 808 type sequence S description binding site for residue SO4 A 1104 source : AC4 13) chain A residue 809 type sequence E description binding site for residue SO4 A 1104 source : AC4 14) chain A residue 810 type sequence E description binding site for residue SO4 A 1104 source : AC4 15) chain A residue 759 type sequence Q description binding site for residue 2YQ A 1105 source : AC5 16) chain A residue 763 type sequence E description binding site for residue 2YQ A 1105 source : AC5 17) chain A residue 862 type sequence H description binding site for residue 2YQ A 1105 source : AC5 18) chain A residue 863 type sequence G description binding site for residue 2YQ A 1105 source : AC5 19) chain A residue 888 type sequence G description binding site for residue 2YQ A 1105 source : AC5 20) chain A residue 889 type sequence Y description binding site for residue 2YQ A 1105 source : AC5 21) chain A residue 896 type sequence Y description binding site for residue 2YQ A 1105 source : AC5 22) chain A residue 897 type sequence F description binding site for residue 2YQ A 1105 source : AC5 23) chain A residue 898 type sequence A description binding site for residue 2YQ A 1105 source : AC5 24) chain A residue 903 type sequence K description binding site for residue 2YQ A 1105 source : AC5 25) chain A residue 904 type sequence S description binding site for residue 2YQ A 1105 source : AC5 26) chain A residue 907 type sequence Y description binding site for residue 2YQ A 1105 source : AC5 27) chain A residue 988 type sequence E description binding site for residue 2YQ A 1105 source : AC5 28) chain A residue 933 type sequence K description binding site for residue GOL A 1106 source : AC6 29) chain A residue 934 type sequence H description binding site for residue GOL A 1106 source : AC6 30) chain A residue 935 type sequence A description binding site for residue GOL A 1106 source : AC6 31) chain A residue 936 type sequence S description binding site for residue GOL A 1106 source : AC6 32) chain A residue 944 type sequence G description binding site for residue GOL A 1107 source : AC7 33) chain A residue 946 type sequence H description binding site for residue GOL A 1107 source : AC7 34) chain A residue 846 type sequence Q description binding site for residue SO4 B 1102 source : AC9 35) chain A residue 849 type sequence K description binding site for residue SO4 B 1102 source : AC9 36) chain A residue 786 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 37) 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 38) 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 39) chain A residue 862 type BINDING sequence H description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 40) chain A residue 871 type BINDING sequence G description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 41) chain A residue 878 type BINDING sequence R description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2 42) chain A residue 904 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:Q9UGN5 source Swiss-Prot : SWS_FT_FI2

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