› 3if6

X-ray diffraction
2.4Å resolution

Crystal structure of OXA-46 beta-lactamase from P. aeruginosa

Released:
DOI: 10.2210/pdb3if6/pdb
PDB entry 3if6 coloured by chain, front view.
PDB entry 3if6 coloured by chain, side view.
PDB entry 3if6 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates.
Docquier JD, Benvenuti M, Calderone V, Giuliani F, Kapetis D, De Luca F, Rossolini GM, Mangani S
Antimicrob Agents Chemother 54 2167-74 (2010)
PMID: 20145076

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184563 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 266 amino acids
Theoretical weight: 31.14 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8GRH0 (Residues: 1-266; Coverage: 100%)
Gene names: blaOXA, blaOXA-46
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily
Beta-lactamase Chain: B
Molecule details ›
Chain: B
Length: 266 amino acids
Theoretical weight: 31.1 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8GRH0 (Residues: 1-266; Coverage: 100%)
Gene names: blaOXA, blaOXA-46
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily
Beta-lactamase Chain: C
Molecule details ›
Chain: C
Length: 266 amino acids
Theoretical weight: 31.14 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8GRH0 (Residues: 1-266; Coverage: 100%)
Gene names: blaOXA, blaOXA-46
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

3 bound ligands:
Ligand TLA 2 x TLA
Ligand EDO 6 x EDO
Ligand P6G 1 x P6G
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7A
Spacegroup: R32
Unit cell:
a: 123.838Å b: 123.838Å c: 327.915Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.211 0.285
Expression system: Escherichia coli BL21

Quick links

Citations

3 review citations

Epidemiological expansion, structural studies, and clinical challenges of new β-lactamases from gram-negative bacteria.
Bush et al. (2011)
2 more

5 mentions without citation

Class D β-lactamases: a reappraisal after five decades.
Leonard et al. (2013)
4 more