› 2h1i

X-ray diffraction
2.8Å resolution

Crystal Structure of the Bacillus cereus Carboxylesterase

Released:
DOI: 10.2210/pdb2h1i/pdb
PDB entry 2h1i coloured by chain, front view.
PDB entry 2h1i coloured by chain, side view.
PDB entry 2h1i coloured by chain, top view.
Source organism: Bacillus cereus ATCC 14579
Entry authors: Minasov G, Shuvalova L, Collart FR, Joachimiak A, Anderson WF, 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

Assemblies composition:
monomeric (preferred)
homo trimer
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-182464 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phospholipase/carboxylesterase/thioesterase domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 226 amino acids
Theoretical weight: 25.68 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81AD5 (Residues: 1-202; Coverage: 100%)
Gene name: BC_3642
Sequence domains: Phospholipase/Carboxylesterase
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand ZN 3 x ZN
Ligand CA 4 x CA
Ligand CL 5 x CL
1 modified residue:
Ligand MSE 24 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P61
Unit cell:
a: 99.607Å b: 99.607Å c: 160.234Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.167 0.23
Expression system: Escherichia coli BL21(DE3)

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