› 1tqh

X-ray diffraction
1.63Å resolution

Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est30

Released:
DOI: 10.2210/pdb1tqh/pdb
PDB entry 1tqh coloured by chain, front view.
PDB entry 1tqh coloured by chain, side view.
PDB entry 1tqh coloured by chain, top view.
Source organism: Geobacillus stearothermophilus
Primary publication:
Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.
Liu P, Wang YF, Ewis HE, Abdelal AT, Lu CD, Harrison RW, Weber IT
J Mol Biol 342 551-61 (2004)
PMID: 15327954

Function and Biology Details

Reaction catalysed: 
A carboxylic ester + H(2)O = an alcohol + a carboxylate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170297 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxylesterase Chain: A
Molecule details ›
Chain: A
Length: 247 amino acids
Theoretical weight: 28.42 KDa
Source organism: Geobacillus stearothermophilus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q06174 (Residues: 1-246; Coverage: 100%)
Gene names: est, est30
Sequence domains: Serine aminopeptidase, S33
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand 4PA 1 x 4PA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 55.654Å b: 58.205Å c: 179.045Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.168 0.228
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Enzymes involved in the bioconversion of ester-based prodrugs.
Liederer et al. (2006)
21 other articles

18 mentions without citation

Carboxylic ester hydrolases: Classification and database derived from their primary, secondary, and tertiary structures.
Chen et al. (2016)
17 more