› 7rpe

X-ray diffraction
1.53Å resolution

X-ray crystal structure of OXA-24/40 in complex with ertapenem

Released:
DOI: 10.2210/pdb7rpe/pdb
PDB entry 7rpe coloured by chain, front view.
PDB entry 7rpe coloured by chain, side view.
PDB entry 7rpe coloured by chain, top view.
Source organism: Acinetobacter baumannii
Primary publication:
Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
Mitchell JM, June CM, Baggett VL, Lowe BC, Ruble JF, Bonomo RA, Leonard DA, Powers RA
OpenAccess logo J Biol Chem 102127 (2022)
PMID: 35709986

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
  • not assigned
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:
beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 245 amino acids
Theoretical weight: 27.72 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8RLA6 (Residues: 31-275; Coverage: 97%)
Gene names: APD33_00525, MKP18_004229, MKP18_004230, MKP18_004396, MKP18_004397, bla-OXA-40, blaOXA-24, blaOXA-33, blaOXA-40, oxa-24, oxa40
Sequence domains: Penicillin binding protein transpeptidase domain

Ligands and Environments

3 bound ligands:
Ligand 1RG 1 x 1RG
Ligand SO4 2 x SO4
Ligand BCT 1 x BCT
1 modified residue:
Ligand KCX 1 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P41212
Unit cell:
a: 102.808Å b: 102.808Å c: 84.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.172 0.193
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii.
Introvigne et al. (2023)

1 mention without citation

Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
Mitchell et al. (2022)