Structure of PDB 2bue Chain A Binding Site BS03

Receptor Information

>2bue Chain A (length=179) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DSVTLRLMTEHDLAMLYEWLNRSHIVEWWGGEEARPTLADVQEQYLPSVL
AQESVTPYIAMLNGEPIGYAQSYVALGSGDGWWEEETDPGVRGIDQLLAN
ASQLGKGLGTKLVRALVELLFNDPEVTKIQTDPSPSNLRAIRCYEKAGFE
RQGTVTTPDGPAVYMVQTRQAFERTRSDA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2bue 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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Structure summary

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PDB	2bue Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	R194 S197 A199
Binding residue (residue number reindexed from 1)	R174 S177 A179
Annotation score	1

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:2bue, PDBe:2bue, PDBj:2bue
PDBsum	2bue
PubMed	18710261
UniProt	Q6SJ71

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