› 6zxi

X-ray diffraction
1.85Å resolution

Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310

Released:
DOI: 10.2210/pdb6zxi/pdb
PDB entry 6zxi coloured by chain, front view.
PDB entry 6zxi coloured by chain, side view.
PDB entry 6zxi coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Discovery of
Davies DT, Leiris S, Zalacain M, Sprynski N, Castandet J, Bousquet J, Lozano C, Llanos A, Alibaud L, Vasa S, Pattipati R, Valige R, Kummari B, Pothukanuri S, De Piano C, Morrissey I, Holden K, Warn P, Marcoccia F, Benvenuti M, Pozzi C, Tassone G, Mangani S, Docquier JD, Pallin D, Elliot R, Lemonnier M, Everett M
J Med Chem 63 15802-15820 (2020)
PMID: 33306385

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180526 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 265 amino acids
Theoretical weight: 30.4 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 1-265; Coverage: 100%)
Gene names: KPE71T_00045, bla OXA-48, blaOXA-48
Sequence domains: Penicillin binding protein transpeptidase domain

Ligands and Environments

4 bound ligands:
Ligand QS8 2 x QS8
Ligand EDO 2 x EDO
Ligand CO2 1 x CO2
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Unit cell:
a: 44.798Å b: 105.106Å c: 125.426Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.218
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Treatment for carbapenem-resistant Enterobacterales infections: recent advances and future directions.
Tompkins et al. (2021)
4 more