Structure of PDB 4opx Chain F Binding Site BS01

Receptor Information
>4opx 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
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)		Y570 K600 K621 F638
Binding residue
(residue number reindexed from 1)		Y40 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

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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