› 5ngg

X-ray diffraction
1.18Å resolution

Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion

Released:
DOI: 10.2210/pdb5ngg/pdb
PDB entry 5ngg coloured by chain, front view.
PDB entry 5ngg coloured by chain, side view.
PDB entry 5ngg coloured by chain, top view.
Source organism: Bradyrhizobium diazoefficiens USDA 110
Primary publication:
Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Di Pisa F, Pozzi C, Benvenuti M, Docquier J-D, De Luca F, Mangani S
Inorganica Chim Acta (2017)

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183547 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 294 amino acids
Theoretical weight: 31.98 KDa
Source organism: Bradyrhizobium diazoefficiens USDA 110
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q89GW5 (Residues: 1-294; Coverage: 100%)
Gene name: blr6230
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

2 bound ligands:
Ligand ZN 6 x ZN
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P1
Unit cell:
a: 42.31Å b: 44.64Å c: 75.91Å
α: 78.88° β: 89.41° γ: 61.99°
R-values:
R R work R free
0.122 0.121 0.146
Expression system: Escherichia coli BL21(DE3)

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