› 2m5d

Solution NMR

Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII in Complex with R-Thiomandelic Acid

Released:
DOI: 10.2210/pdb2m5d/pdb
PDB entry 2m5d coloured by chain, ensemble of 20 models, front view.
PDB entry 2m5d coloured by chain, ensemble of 20 models, side view.
PDB entry 2m5d coloured by chain, ensemble of 20 models, top view.
Source organism: Bacillus cereus
Primary publication:
Solution structures of the Bacillus cereus metallo-β-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Karsisiotis AI, Damblon CF, Roberts GC
Biochem J 456 397-407 (2013)
PMID: 24059435

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-137499 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 Chain: A
Molecule details ›
Chain: A
Length: 227 amino acids
Theoretical weight: 25 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli
UniProt:
  • Canonical: P04190 (Residues: 31-257; Coverage: 100%)
Gene name: blm
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand RTD 1 x RTD
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 85%
Refinement method: simulated annealing, torsion angle dynamics
Expression system: Escherichia coli

Quick links

Citations

4 review citations

The Continuing Challenge of Metallo-β-Lactamase Inhibition: Mechanism Matters.
Ju et al. (2018)
3 more

1 mention without citation

Solution structures of the Bacillus cereus metallo-β-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Karsisiotis et al. (2013)