Structure of PDB 7kk5 Chain A

Receptor sequence
>7kk5A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYS
ILSEVQQAVSQDSQILDLSNRFYTLIPHDFGKPPLLNNADSVQAKVEMLD
NLLDIEVAYSLLRGSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNT
HATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAG
ILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILL
GEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPL
GTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFK
3D structure
PDB7kk5 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
ChainA
Resolution1.7 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) S233 Y236 E317
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 3JD A Q759 D766 H862 G863 Y889 Y896 F897 S904 Y907 Q93 D100 H191 G192 Y218 Y225 F226 S233 Y236 BindingDB: IC50=132nM,Ki=3.2nM,EC50=31000nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7kk5, PDBe:7kk5, PDBj:7kk5
PDBsum7kk5
PubMed33361107
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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