Structure of PDB 1v0c Chain A Binding Site BS03

Receptor Information
>1v0c Chain A (length=176) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSVTLRLMTEHDLAMLYEWLNRSHIVEWWGARPTLADVQEQYLPSVLAQE
SVTPYIAMLNGEPIGYAQSYVALGSGDGWWEEETDPGVRGIDQLLANASQ
LGKGLGTKLVRALVELLFNDPEVTKIQTDPSPSNLRAIRCYEKAGFERQG
TVTTPDGPAVYMVQTRQAFERTRSDA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1v0c Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v0c Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R194 S197 A199
Binding residue
(residue number reindexed from 1)		R171 S174 A176
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.82: aminoglycoside 6'-N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0016410 N-acyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:1v0c, PDBe:1v0c, PDBj:1v0c
PDBsum1v0c
PubMed18710261
UniProtQ6SJ71

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