6uqt

X-ray diffraction
1.25Å resolution

Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors

Released:
Source organism: Pseudomonas aeruginosa
Primary publication:
Serendipitous discovery of aryl boronic acids as β-lactamase inhibitors.
Bioorg Med Chem Lett 30 126795 (2020)
PMID: 31759850

Function and Biology Details

Reaction catalysed:
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 375 amino acids
Theoretical weight: 41.02 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: P24735 (Residues: 27-397; Coverage: 100%)
Gene names: PA4110, ampC
Sequence domains: Beta-lactamase

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 44.773Å b: 71.398Å c: 105.073Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.16 0.173
Expression system: Escherichia coli