Structure of PDB 4opx Chain D Binding Site BS01

Receptor Information
>4opx Chain D (length=222) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFS
CFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEASKKEKDKDSKLEKA
LKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGM
VFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPK
EFREISYLKKLKVKKQDRIFPP
Ligand information
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4opx Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.
Resolution3.314 Å
Binding residue
(original residue number in PDB)		K15 S16 A19 S20 R34 V48 S274
Binding residue
(residue number reindexed from 1)		K10 S11 A14 S15 R29 V43 S137
Enzymatic activity
Enzyme Commision number 2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:4opx, PDBe:4opx, PDBj:4opx
PDBsum4opx
PubMed24922587
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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