› 7l5f

X-ray diffraction
1.51Å resolution

Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co

Released:
DOI: 10.2210/pdb7l5f/pdb
PDB entry 7l5f coloured by chain, front view.
PDB entry 7l5f coloured by chain, side view.
PDB entry 7l5f coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-γ-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Reidl CT, Mascarenhas R, Mohammad TSH, Lutz MR, Thomas PW, Fast W, Liu D, Becker DP
OpenAccess logo ACS Omega 6 13567-13578 (2021)
PMID: 34095651

Function and Biology Details

Reaction catalysed: 
An N-acyl-L-homoserine lactone + H(2)O = an N-acyl-L-homoserine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143513 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N-acyl homoserine lactonase AiiA Chain: A
Molecule details ›
Chain: A
Length: 250 amino acids
Theoretical weight: 28.25 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P0CJ63 (Residues: 1-250; Coverage: 100%)
Gene name: aiiA
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand CO 2 x CO
Ligand XNG 1 x XNG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 54.699Å b: 55.662Å c: 80.582Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.137 0.134 0.182
Expression system: Escherichia coli

Quick links

Citations

2 mentions without citation

Quorum sensing in human gut and food microbiomes: Significance and potential for therapeutic targeting.
Falà et al. (2022)
1 more