Structure of PDB 8g0h Chain C Binding Site BS02

Receptor Information
>8g0h Chain C (length=227) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWY
HFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEASKKEKDKDSKL
EKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVA
DGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWV
TPKEFREISYLKKLKVKKQDRIFPPET
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 chain8g0h Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8g0h Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks
Resolution3.8 Å
Binding residue
(original residue number in PDB)		C295 C311 C321
Binding residue
(residue number reindexed from 1)		C161 C177 C187
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:8g0h, PDBe:8g0h, PDBj:8g0h
PDBsum8g0h
PubMed38372302
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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