2hrq

X-ray diffraction
2.7Å resolution

Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD)

Released:

Function and Biology Details

Reactions catalysed:
A carboxylic ester + H(2)O = an alcohol + a carboxylate
A steryl ester + H(2)O = a sterol + a fatty acid
4-methylumbelliferyl acetate + H(2)O = 4-methylumbelliferone + acetate
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
PDBe Complex ID:
PDB-CPX-149882 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Liver carboxylesterase 1 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 532 amino acids
Theoretical weight: 58.67 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P23141 (Residues: 21-553; Coverage: 97%)
Gene names: CES1, CES2, SES1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC, FRU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 55.463Å b: 181.193Å c: 203.051Å
α: 90° β: 89.99° γ: 90°
R-values:
R R work R free
0.17 0.17 0.225
Expression system: Spodoptera frugiperda