› 1evq

X-ray diffraction
2.6Å resolution

THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS

Released:
DOI: 10.2210/pdb1evq/pdb
PDB entry 1evq coloured by chain, front view.
PDB entry 1evq coloured by chain, side view.
PDB entry 1evq coloured by chain, top view.
Source organism: Alicyclobacillus acidocaldarius
Primary publication:
A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase.
De Simone G, Galdiero S, Manco G, Lang D, Rossi M, Pedone C
J Mol Biol 303 761-71 (2000)
PMID: 11061974

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181976 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha/beta hydrolase fold-3 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 34.53 KDa
Source organism: Alicyclobacillus acidocaldarius
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7SIG1 (Residues: 1-310; Coverage: 100%)
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand EPE 1 x EPE
Ligand TRS 1 x TRS
1 modified residue:
Ligand MSE 4 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X31
Spacegroup: P41212
Unit cell:
a: 79.105Å b: 79.105Å c: 107.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.216 0.265
Expression system: Escherichia coli BL21(DE3)

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Citations

55 citation in other articles

Molecular interactions of a soluble gibberellin receptor, GID1, with a rice DELLA protein, SLR1, and gibberellin.
Ueguchi-Tanaka et al. (2007)
54 more

22 mentions without citation

Carboxylic ester hydrolases from hyperthermophiles.
Levisson et al. (2009)
21 more