Structure of PDB 3goy Chain B Binding Site BS01

Receptor Information
>3goy Chain B (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQQNFCVVELLPSDPEYNTVASKFNQTCSHFRIEKIERIQNPDLWNSYQA
KKKTMDAKNGQTMNEKQLFHGTDAGSVPHVNRNGFNRAYGKGTYFAVNAN
YSANDTYSRPDANGRKHVYYVRVLTGIYTHGNHSLIVPPSKNPQNPTDLY
DTVTDNVHHPSLFVAFYDYQAYPEYLITFRK
Ligand information
Ligand ID3AB
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKeyGSCPDZHWVNUUFI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)N)C(=O)N
CACTVS 3.341NC(=O)c1cccc(N)c1
ACDLabs 10.04O=C(c1cc(N)ccc1)N
FormulaC7 H8 N2 O
Name3-aminobenzamide
ChEMBLCHEMBL81977
DrugBank
ZINCZINC000000157165
PDB chain3goy Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3goy Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y1633 A1635 Y1640 Y1646
Binding residue
(residue number reindexed from 1)		Y94 A96 Y101 Y107
Annotation score2
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:3goy, PDBe:3goy, PDBj:3goy
PDBsum3goy
PubMed22343925
UniProtQ460N5|PAR14_HUMAN Protein mono-ADP-ribosyltransferase PARP14 (Gene Name=PARP14)

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