Structure of PDB 7osx Chain A Binding Site BS01

Receptor Information
>7osx Chain A (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPEHWTDMNHQLFCMVQLEPGQSEYNTIKDKFTRTCSSYAIEKIERIQNA
FLWQSYQVKKRQMDIKNDHKNNERLLFHGTDADSVPYVNQHGFNRSCVSY
GKGTYFAVDASYSAKDTYSKPDSNGRKHMYVVRVLTGVFTKGRAGLVTPP
PKNPHNPTDLFDSVTNNTRSPKLFVVFFDNQAYPEYLITFTA
Ligand information
Ligand ID0UI
InChIInChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
InChIKeyUYVFDEFXTXVVAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc2C(=O)Nc3sccc3c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)-c3ccsc3NC2=O
FormulaC11 H7 N O2 S
Name8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChEMBLCHEMBL5077731
DrugBank
ZINC
PDB chain7osx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7osx Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H559 G560 Y591 Y598 S599 Y604
Binding residue
(residue number reindexed from 1)		H78 G79 Y105 Y112 S113 Y118
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.-
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7osx, PDBe:7osx, PDBj:7osx
PDBsum7osx
PubMed34801828
UniProtQ460N3|PAR15_HUMAN Protein mono-ADP-ribosyltransferase PARP15 (Gene Name=PARP15)

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