Structure of PDB 4oqa Chain A

Receptor sequence
>4oqaA (length=222) Species: 9606 (Homo sapiens) [Search protein sequence]
DKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFS
CFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEASKKEKDKDSKLEKA
LKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGM
VFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPK
EFREISYLKKLKVKKQDRIFPP
3D structure
PDB4oqa 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.
ChainA
Resolution3.65 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 dna A S16 A19 R34 V48 S274 G275 S11 A14 R29 V43 S137 G138
BS02 ZN A C21 C24 H53 C56 C16 C19 H48 C51
BS03 ZN A C295 C298 C311 C321 C158 C161 C174 C184
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:4oqa, PDBe:4oqa, PDBj:4oqa
PDBsum4oqa
PubMed24922587
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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