Structure of PDB 7osp Chain A Binding Site BS01

Receptor Information
>7osp Chain A (length=194) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLPEHWTDMNHQLFCMVQLEPGQSEYNTIKDKFTRTCSSYAIEKIERIQN
AFLWQSYQVKKRQMDIKNDHKNNERLLFHGTDADSVPYVNQHGFNRSCAV
SYGKGTYFAVDASYSAKDTYSKPDSNGRKHMYVVRVLTGVFTKGRAGLVT
PPPKNPHNPTDLFDSVTNNTRSPKLFVVFFDNQAYPEYLITFTA
Ligand information
Ligand ID0Q6
InChIInChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyWNYIDDKTEYNPSM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N
CACTVS 3.385NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
FormulaC14 H12 Br N O2
Name4-[(3-bromophenyl)methoxy]benzamide
ChEMBLCHEMBL4293771
DrugBank
ZINCZINC000014344452
PDB chain7osp Chain A Residue 701 [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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PDB7osp Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		H559 G560 S585 Y586 Y591 Y598 S599 Y604 L659
Binding residue
(residue number reindexed from 1)		H79 G80 S101 Y102 Y107 Y114 S115 Y120 L175
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:7osp, PDBe:7osp, PDBj:7osp
PDBsum7osp
PubMed34801828
UniProtQ460N3|PAR15_HUMAN Protein mono-ADP-ribosyltransferase PARP15 (Gene Name=PARP15)

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