Structure of PDB 7s68 Chain A Binding Site BS04

Receptor Information
>7s68 Chain A (length=223) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHF
SCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEASKKEKDKDSKLEK
ALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADG
MVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTP
KEFREISYLKKLKVKKQDRIFPP
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 chain7s68 Chain A Residue 402 [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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PDB7s68 Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C21 C24 H53 C56
Binding residue
(residue number reindexed from 1)		C17 C20 H49 C52
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:7s68, PDBe:7s68, PDBj:7s68
PDBsum7s68
PubMed35793673
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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