› 1r1d

X-ray diffraction
2Å resolution

Structure of a Carboxylesterase from Bacillus stearothermophilus

Released:
DOI: 10.2210/pdb1r1d/pdb
PDB entry 1r1d coloured by chain, front view.
PDB entry 1r1d coloured by chain, side view.
PDB entry 1r1d coloured by chain, top view.
Source organism: Geobacillus stearothermophilus
Entry authors: Cuff ME, Zhou M, Collart F, Joachimiak A, Midwest Center for Structural Genomics (MCSG)

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170298 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxylesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 247 amino acids
Theoretical weight: 28.86 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

1 bound ligand:
Ligand EPE 2 x EPE
1 modified residue:
Ligand MSE 20 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 67.922Å b: 81.683Å c: 130.582Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.205 0.245
Expression system: Escherichia coli

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