Structure of PDB 4uxb Chain A

Receptor sequence
>4uxbA (length=323) Species: 9606 (Homo sapiens) [Search protein sequence]
MKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAY
SILSEVQQAVSQDSQILDLSNRFYTLIPHDPLLNNADSVQAKAEMLDNLL
DIEVAYSLLRDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHANAYD
LEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIA
PPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMY
ELKHSKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSDTSLLYN
EYIVYDIAQVNLKYLLKLKFNFK
3D structure
PDB4uxb Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
ChainA
Resolution3.22 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S904 Y907 E988
Catalytic site (residue number reindexed from 1) S224 Y227 E301
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 P34 A H862 G863 G888 Y889 Y896 S904 Y907 H182 G183 G208 Y209 Y216 S224 Y227 PDBbind-CN: -logKd/Ki=7.96,IC50=10.9nM
BindingDB: IC50=110nM,Kd=110nM,EC50=20nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4uxb, PDBe:4uxb, PDBj:4uxb
PDBsum4uxb
PubMed28001384
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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