Structure of PDB 3slf Chain A Binding Site BS02

Receptor Information
>3slf Chain A (length=265) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGGAV
AVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNVPA
FEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQSL
SMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVHLSEVRSGACELIKVGA
PIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRLMK
QRDIVDFGTEWFRKK
Ligand information
Ligand IDURA
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC=CC(=O)N1
ACDLabs 10.04O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1=O
FormulaC4 H4 N2 O2
NameURACIL
ChEMBLCHEMBL566
DrugBankDB03419
ZINCZINC000000895045
PDB chain3slf Chain A Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3slf Crystal structure of BA2930 in complex with AcCoA and uracil
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W80 R82 P83 R108
Binding residue
(residue number reindexed from 1)		W81 R83 P84 R109
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.81: aminoglycoside N(3)-acetyltransferase.
Gene Ontology
Molecular Function
GO:0008080 N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0046353 aminoglycoside 3-N-acetyltransferase activity
Biological Process
GO:0046677 response to antibiotic

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3slf, PDBe:3slf, PDBj:3slf
PDBsum3slf
PubMed
UniProtA0A3P1UCA6

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