Structure of PDB 3slb Chain A Binding Site BS02

Receptor Information
>3slb Chain A (length=266) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG
AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV
PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ
SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV
GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL
MKQRDIVDFGTEWFRK
Ligand information
Ligand IDCYT
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1N=CC=C(N)N1
OpenEye OEToolkits 1.5.0C1=C(NC(=O)N=C1)N
CACTVS 3.341NC1=CC=NC(=O)N1
FormulaC4 H5 N3 O
Name6-AMINOPYRIMIDIN-2(1H)-ONE;
CYTOSINE
ChEMBLCHEMBL15913
DrugBank
ZINCZINC000000895210
PDB chain3slb Chain A Residue 267 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3slb Crystal structure of BA2930 in complex with AcCoA and cytosine
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W80 S81 R82 P83 R108
Binding residue
(residue number reindexed from 1)		W83 S84 R85 P86 R111
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:3slb, PDBe:3slb, PDBj:3slb
PDBsum3slb
PubMed
UniProtA0A3P1UCA6

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