› 3b3x

X-ray diffraction
2.5Å resolution

Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate

Released:
DOI: 10.2210/pdb3b3x/pdb
PDB entry 3b3x coloured by chain, front view.
PDB entry 3b3x coloured by chain, side view.
PDB entry 3b3x coloured by chain, top view.
Source organism: Bacillus licheniformis
Primary publication:
2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis.
Beck J, Sauvage E, Charlier P, Marchand-Brynaert J
Bioorg Med Chem Lett 18 3764-8 (2008)
PMID: 18515103

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-133598 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 265 amino acids
Theoretical weight: 29.51 KDa
Source organism: Bacillus licheniformis
UniProt:
  • Canonical: P00808 (Residues: 43-307; Coverage: 94%)
Gene names: blaP, penP
Sequence domains: Beta-lactamase
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand A33 2 x A33
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 46.665Å b: 104.71Å c: 63.884Å
α: 90° β: 93.96° γ: 90°
R-values:
R R work R free
0.223 0.22 0.288

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Citations

5 citation in other articles

Discovery of novel lipophilic inhibitors of OXA-10 enzyme (class D beta-lactamase) by screening amino analogs and homologs of citrate and isocitrate.
Beck et al. (2009)
4 more

2 mentions without citation

Fragment-based inhibitor discovery against β-lactamase.
Nichols et al. (2014)
1 more