Structure of PDB 4f0d Chain A Binding Site BS01

Receptor Information
>4f0d Chain A (length=238) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGWAAAREAAGRDMLAADLRCSLFASALQSYKRDSVLRPFPASYARGDCK
DFEALLADASKLPNLKELLQSSGDNHKRAWDLVSWILSSKVLTIHSAGKA
EFEKIQKLTGAPHTPVPAPDFLFEIEYFDPANAKFYETKGERDLIYAFHG
SRLENFHSIIHNGLHCHKTSLFGEGTYLTSDLSLALIYSPHGHGWQHSLL
GPILSCVAVCEVIDHPDKYFVVTNNQLLRVKYLLVYSQ
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 chain4f0d Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f0d Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H152 G153 Y182 L183 T184 Y193 Y254
Binding residue
(residue number reindexed from 1)		H149 G150 Y177 L178 T179 Y188 Y219
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:4f0d, PDBe:4f0d, PDBj:4f0d
PDBsum4f0d
PubMed22661712
UniProtQ8N5Y8|PAR16_HUMAN Protein mono-ADP-ribosyltransferase PARP16 (Gene Name=PARP16)

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