Structure of PDB 7kkq Chain B Binding Site BS02

Receptor Information
>7kkq Chain B (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTILLDLAPEDKEYQSVEEEMQSTIREAGGIFNRYNVIRIQKVVNKKLRE
RFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGA
GIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSF
LQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQI
MKP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7kkq Chain B Residue 9002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kkq Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C1234 H1237 C1242 C1245
Binding residue
(residue number reindexed from 1)		C124 H127 C132 C135
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7kkq, PDBe:7kkq, PDBj:7kkq
PDBsum7kkq
PubMed33361107
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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