Structure of PDB 4oqa Chain F Binding Site BS01

Receptor Information

>4oqa Chain F (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

>4oqa Chain N (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	4oqa 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	3.65 Å
Binding residue (original residue number in PDB)	Y570 W589 K600 K621 F638
Binding residue (residue number reindexed from 1)	Y40 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:4oqa, PDBe:4oqa, PDBj:4oqa
PDBsum	4oqa
PubMed	24922587
UniProt	P09874\|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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