Structure of PDB 7kk3 Chain B

Receptor sequence
>7kk3B (length=337) Species: 9606 (Homo sapiens) [Search protein sequence]
KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYS
ILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFKKPPLLNNADSVQAKVE
MLDNLLDIEVAYSLLRGSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKY
VKNTAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGIL
SQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGE
VALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGT
GISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFK
3D structure
PDB7kk3 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
ChainB
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) S231 Y234 E315
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 B H862 G863 G888 Y889 Y896 K903 S904 Y907 H189 G190 G215 Y216 Y223 K230 S231 Y234 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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