Structure of PDB 6fxi Chain A Binding Site BS01

Receptor Information
>6fxi Chain A (length=190) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLERLAENTGEFQEVVRAFYDTLDAARSSIRVVRVERVSHPLLQQQYEL
YRERLLQRCERRPVEQVLYHGTTAPAVPDICAHGFNRSFCGRNATVYGKG
VYFARRASLSVQDRYSPPNADGHKAVFVARVLTGDYGQGRRGLRAPPLRG
PGHVLLRYDSAVDCICQPSIFVIFHDTQALPTHLITCEHV
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 chain6fxi Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fxi Human PARP10 (ARTD10), catalytic fragment in complex with 3-aminobenzamide and citrate
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H887 G888 R909 Y919 F920 A921 L926 S927 Y932 I987
Binding residue
(residue number reindexed from 1)		H70 G71 R92 Y102 F103 A104 L109 S110 Y115 I170
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:6fxi, PDBe:6fxi, PDBj:6fxi
PDBsum6fxi
PubMed
UniProtQ53GL7|PAR10_HUMAN Protein mono-ADP-ribosyltransferase PARP10 (Gene Name=PARP10)

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