› 6rtn

X-ray diffraction
2.17Å resolution

Crystal structure of OXA-10 with VNRX-5133

Released:
DOI: 10.2210/pdb6rtn/pdb
PDB entry 6rtn coloured by chain, front view.
PDB entry 6rtn coloured by chain, side view.
PDB entry 6rtn coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-β-Lactamases.
Krajnc A, Brem J, Hinchliffe P, Calvopiña K, Panduwawala TD, Lang PA, Kamps JJAG, Tyrrell JM, Widlake E, Saward BG, Walsh TR, Spencer J, Schofield CJ
J Med Chem 62 8544-8556 (2019)
PMID: 31454231

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-146960 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase OXA-10 Chains: A, B
Molecule details ›
Chains: A, B
Length: 247 amino acids
Theoretical weight: 27.7 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: P14489 (Residues: 20-265; Coverage: 100%)
Gene names: bla, oxa10, pse2
Sequence domains: Penicillin binding protein transpeptidase domain

Ligands and Environments

2 bound ligands:
Ligand CL 12 x CL
Ligand KJK 2 x KJK
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 48.879Å b: 95.62Å c: 126.269Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.224
Expression system: Escherichia coli

Quick links

Citations

19 review citations

Antibiotics in the clinical pipeline in October 2019.
Butler et al. (2020)
18 more

4 mentions without citation

Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-β-Lactamases.
Krajnc et al. (2019)
3 more