Structure of PDB 4oqb Chain C Binding Site BS01

Receptor Information

>4oqb Chain C (length=456) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLWIFRS
WGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKF
YPLEIDKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQ
IQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNA
DSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVD
RDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLH
NRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSA
NYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTT
PDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKL
KFNFKT

Ligand information

>4oqb Chain M (length=26) [Search DNA sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

gcctaccggttcgcgaaccggtaggc

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4oqb 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.
Resolution	3.362 Å
Binding residue (original residue number in PDB)	Y570 R587 W589 K600 K621 F638
Binding residue (residue number reindexed from 1)	Y40 R49 W51 K62 K83 F100

Enzymatic activity

Enzyme Commision number

2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.

Gene Ontology

	Molecular Function
GO:0003950	NAD+-protein poly-ADP-ribosyltransferase activity

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Molecular Function

External links

PDB	RCSB:4oqb, PDBe:4oqb, PDBj:4oqb
PDBsum	4oqb
PubMed	24922587
UniProt	P09874\|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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