› 8fqq

X-ray diffraction
1.48Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-220331 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 361 amino acids
Theoretical weight: 40.73 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A2H4PPJ8 (Residues: 24-383; Coverage: 100%)
Gene name: blaADC
Sequence domains: Beta-lactamase

Ligands and Environments

3 bound ligands:
Ligand YDB 2 x YDB
Ligand PO4 2 x PO4
Ligand GLY 1 x GLY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 43.166Å b: 83.286Å c: 209.167Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.21 0.25
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 mention without citation

Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter-Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
Powers et al. (2023)