Structure of PDB 3slb Chain B Binding Site BS02

Receptor Information
>3slb Chain B (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 B 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 R108
Binding residue
(residue number reindexed from 1)		W83 S84 R85 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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