› 7jhq

X-ray diffraction
2Å resolution

OXA-48 bound by Compound 2.3

Released:
DOI: 10.2210/pdb7jhq/pdb
Model geometry
Fit model/data
PDB entry 7jhq coloured by chain, front view.
PDB entry 7jhq coloured by chain, side view.
PDB entry 7jhq coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Taylor DM, Anglin J, Hu L, Wang L, Sankaran B, Wang J, Matzuk MM, Prasad BVV, Palzkill T
ACS Infect Dis 7 3345-3354 (2021)
PMID: 34817169

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
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 OXA-48 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 244 amino acids
Theoretical weight: 28.3 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q6XEC0 (Residues: 25-265; Coverage: 99%)
Gene names: KPE71T_00045, OXA-48, SAMEA3727706_05517, bla OXA-48, blaOXA-48, bla_4
Sequence domains: Penicillin binding protein transpeptidase domain

Ligands and Environments

5 bound ligands:
Ligand VAJ 4 x VAJ
Ligand NA 3 x NA
Ligand EDO 6 x EDO
Ligand PEG 1 x PEG
Ligand CL 2 x CL
1 modified residue:
Ligand KCX 4 x KCX

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P65
Unit cell:
a: 120.68Å b: 120.68Å c: 159.769Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.17 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Discovery of Quercetin and Its Analogs as Potent OXA-48 Beta-Lactamase Inhibitors.
Zhang et al. (2022)

1 mention without citation

Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Taylor et al. (2021)