› 3pae

X-ray diffraction
2.1Å resolution

Crystal structure of the K84D mutant of OXA-24/40 in complex with doripenem

Released:
DOI: 10.2210/pdb3pae/pdb
PDB entry 3pae coloured by chain, front view.
PDB entry 3pae coloured by chain, side view.
PDB entry 3pae coloured by chain, top view.
Source organism: Acinetobacter baumannii
Primary publication:
Structures of the class D carbapenemase OXA-24 from Acinetobacter baumannii in complex with doripenem.
Schneider KD, Ortega CJ, Renck NA, Bonomo RA, Powers RA, Leonard DA
J Mol Biol 406 583-94 (2011)
PMID: 21215758

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

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186001 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein transpeptidase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 245 amino acids
Theoretical weight: 27.66 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8RLA6 (Residues: 31-275; Coverage: 97%)
Gene names: APD17_12635, MKP18_004229, MKP18_004396, bla-OXA-40, blaOXA-24, blaOXA-33, blaOXA-40, oxa-24, oxa40
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand 4J6 2 x 4J6
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P41
Unit cell:
a: 102.334Å b: 102.334Å c: 85.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.231
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Carbapenems: past, present, and future.
Papp-Wallace et al. (2011)
6 more

20 mentions without citation

β-Lactamases and β-Lactamase Inhibitors in the 21st Century.
Tooke et al. (2019)
19 more