› 3s2z

X-ray diffraction
1.76Å resolution

Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with caffeic acid

Released:
DOI: 10.2210/pdb3s2z/pdb
PDB entry 3s2z coloured by chain, front view.
PDB entry 3s2z coloured by chain, side view.
PDB entry 3s2z coloured by chain, top view.
Source organism: Lactobacillus johnsonii
Primary publication:
An inserted α/β subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase.
Lai KK, Stogios PJ, Vu C, Xu X, Cui H, Molloy S, Savchenko A, Yakunin A, Gonzalez CF
PLoS One 6 e23269 (2011)
PMID: 21876742

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112587 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine aminopeptidase S33 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 270 amino acids
Theoretical weight: 30.01 KDa
Source organism: Lactobacillus johnsonii
Expression system: Escherichia coli
UniProt:
  • Canonical: D3YEX6 (Residues: 1-249; Coverage: 100%)
Gene name: FEE39_08260
Sequence domains: Serine aminopeptidase, S33
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand CL 16 x CL
Ligand DHC 2 x DHC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2
Unit cell:
a: 72.318Å b: 84.168Å c: 87.604Å
α: 90° β: 97.56° γ: 90°
R-values:
R R work R free
0.146 0.143 0.209
Expression system: Escherichia coli

Quick links

Citations

19 citation in other articles

The metagenome-derived enzymes LipS and LipT increase the diversity of known lipases.
Chow et al. (2012)
18 more

7 mentions without citation

Therapeutic Implications of Caffeic Acid in Cancer and Neurological Diseases.
Alam et al. (2022)
6 more