› 1hlk

X-ray diffraction
2.5Å resolution

METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR

Released:
DOI: 10.2210/pdb1hlk/pdb
PDB entry 1hlk coloured by chain, front view.
PDB entry 1hlk coloured by chain, side view.
PDB entry 1hlk coloured by chain, top view.
Source organism: Bacteroides fragilis
Primary publication:
Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases.
Payne DJ, Hueso-Rodríguez JA, Boyd H, Concha NO, Janson CA, Gilpin M, Bateson JH, Cheever C, Niconovich NL, Pearson S, Rittenhouse S, Tew D, Díez E, Pérez P, De La Fuente J, Rees M, Rivera-Sagredo A
Antimicrob Agents Chemother 46 1880-6 (2002)
PMID: 12019104

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150609 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 227 amino acids
Theoretical weight: 24.8 KDa
Source organism: Bacteroides fragilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25910 (Residues: 21-247; Coverage: 98%)
Gene names: ccrA, cfiA
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

3 bound ligands:
Ligand ZN 4 x ZN
Ligand NA 2 x NA
Ligand 113 2 x 113
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SIEMENS
Spacegroup: P1
Unit cell:
a: 41.8Å b: 44.2Å c: 58.5Å
α: 92.8° β: 95.3° γ: 98°
R-values:
R R work R free
0.159 0.165 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Metallo-beta-lactamases: the quiet before the storm?
Walsh et al. (2005)
10 more

5 mentions without citation

Built-in loops allow versatility in domain-domain interactions: lessons from self-interacting domains.
Akiva et al. (2008)
4 more