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› 4wqk

X-ray diffraction
1.48Å resolution

Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, apo form

Released:
DOI: 10.2210/pdb4wqk/pdb
Model geometry
Fit model/data
PDB entry 4wqk coloured by chain, front view.
PDB entry 4wqk coloured by chain, side view.
PDB entry 4wqk coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Structural and molecular basis for resistance to aminoglycoside antibiotics by the adenylyltransferase ANT(2″)-Ia.
Cox G, Stogios PJ, Savchenko A, Wright GD
OpenAccess logo mBio 6 (2015)
PMID: 25564464

Function and Biology Details

Reaction catalysed: 
nucleoside triphosphate + gentamicin = diphosphate +2''-nucleotidylgentamicin.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142393 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2''-aminoglycoside nucleotidyltransferase Chain: A
Molecule details ›
Chain: A
Length: 178 amino acids
Theoretical weight: 19.95 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AE05 (Residues: 1-177; Coverage: 100%)
Gene name: aadB
Sequence domains: Aminoglycoside-2''-adenylyltransferase
Structure domains: Beta Polymerase; domain 2

Ligands and Environments

4 bound ligands:
Ligand MG 3 x MG
Ligand CL 1 x CL
Ligand IPA 5 x IPA
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 45.528Å b: 42.11Å c: 47.702Å
α: 90° β: 105.49° γ: 90°
R-values:
R R work R free
0.161 0.159 0.196
Expression system: Escherichia coli

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Citations

3 review citations

Bifunctional antimicrobial conjugates and hybrid antimicrobials.
Klahn et al. (2017)
2 more

6 mentions without citation

Overcoming Aminoglycoside Enzymatic Resistance: Design of Novel Antibiotics and Inhibitors.
Zárate et al. (2018)
5 more