Structure of PDB 4oqb Chain C

Receptor sequence
>4oqbC (length=456) Species: 9606 (Homo sapiens) [Search protein sequence]
AAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLWIFRS
WGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKF
YPLEIDKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQ
IQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNA
DSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVD
RDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLH
NRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSA
NYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTT
PDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKL
KFNFKT
3D structure
PDB4oqb 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.
ChainC
Resolution3.362 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 C Y570 R587 W589 K600 K621 F638 Y40 R49 W51 K62 K83 F100
BS02 2UT C D766 H862 G863 R878 Y889 Y896 S904 Y907 D211 H307 G308 R323 Y334 Y341 S349 Y352 BindingDB: IC50=2070nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4oqb, PDBe:4oqb, PDBj:4oqb
PDBsum4oqb
PubMed24922587
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

[Back to BioLiP]