› 4ccw

X-ray diffraction
1.75Å resolution

Crystal structure of naproxen esterase (carboxylesterase NP) from Bacillus subtilis

Released:
DOI: 10.2210/pdb4ccw/pdb
PDB entry 4ccw coloured by chain, front view.
PDB entry 4ccw coloured by chain, side view.
PDB entry 4ccw coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Crystal structures of two Bacillus carboxylesterases with different enantioselectivities.
Rozeboom HJ, Godinho LF, Nardini M, Quax WJ, Dijkstra BW
Biochim Biophys Acta 1844 567-75 (2014)
PMID: 24418394

Function and Biology Details

Reaction catalysed: 
A carboxylic ester + H(2)O = an alcohol + a carboxylate
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-176783 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 299 amino acids
Theoretical weight: 33.87 KDa
Source organism: Bacillus subtilis
Expression system: Bacillus subtilis
UniProt:
  • Canonical: Q59248 (Residues: 2-300; Coverage: 100%)
Gene name: nap
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand VKC 1 x VKC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P3221
Unit cell:
a: 46.987Å b: 46.987Å c: 212.461Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.229 0.227 0.267
Expression system: Bacillus subtilis

Quick links

Citations

2 review citations

Esterases as stereoselective biocatalysts.
Romano et al. (2015)
1 more

2 mentions without citation

Biochemical and Structural Insights into Enzymatic Depolymerization of Polylactic Acid and Other Polyesters by Microbial Carboxylesterases.
Hajighasemi et al. (2016)
1 more