Structure of PDB 7kk3 Chain A

Receptor sequence
>7kk3A (length=336) Species: 9606 (Homo sapiens) [Search protein sequence]
KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYS
ILSEVQQAVSQDSQILDLSNRFYTLIPHDFKPPNNADSVQAKVEMLDNLL
DIEVAYSLLRGSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHAT
THNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILS
QGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEV
ALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTG
ISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFK
3D structure
PDB7kk3 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
ChainA
Resolution2.06 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) S230 Y233 E314
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 2YQ A H862 G863 G888 Y889 Y896 S904 Y907 H188 G189 G214 Y215 Y222 S230 Y233 BindingDB: Ki=1.2nM,IC50=0.570000nM,EC50=2.5nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7kk3, PDBe:7kk3, PDBj:7kk3
PDBsum7kk3
PubMed33361107
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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