› 2wk0

X-ray diffraction
1.65Å resolution

Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate.

Released:
DOI: 10.2210/pdb2wk0/pdb
PDB entry 2wk0 coloured by chain, front view.
PDB entry 2wk0 coloured by chain, side view.
PDB entry 2wk0 coloured by chain, top view.
Source organism: Bacillus licheniformis
Primary publication:
Structural basis of the inhibition of class A beta-lactamases and penicillin-binding proteins by 6-beta-iodopenicillanate.
Sauvage E, Zervosen A, Dive G, Herman R, Amoroso A, Joris B, Fonzé E, Pratt RF, Luxen A, Charlier P, Kerff F
J Am Chem Soc 131 15262-9 (2009)
PMID: 19919161

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133594 (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

5 bound ligands:
Ligand BIY 2 x BIY
Ligand CL 2 x CL
Ligand SO4 1 x SO4
Ligand EOH 4 x EOH
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LURE BEAMLINE DW32
Spacegroup: P21
Unit cell:
a: 46.988Å b: 104.479Å c: 63.74Å
α: 90° β: 94.07° γ: 90°
R-values:
R R work R free
0.19 0.189 0.211

Quick links

Citations

2 review citations

Current challenges in antimicrobial chemotherapy: focus on ß-lactamase inhibition.
Bebrone et al. (2010)
1 more

3 mentions without citation

Structural basis of the inhibition of class A beta-lactamases and penicillin-binding proteins by 6-beta-iodopenicillanate.
Sauvage et al. (2009)
2 more