2xqk

X-ray diffraction
2.4Å resolution

X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S)

Released:

Function and Biology Details

Reaction catalysed:
An acylcholine + H(2)O = choline + a carboxylate
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138986 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 527 amino acids
Theoretical weight: 59.47 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P06276 (Residues: 31-557; Coverage: 92%)
Gene names: BCHE, CHE1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: I422
Unit cell:
a: 154.92Å b: 154.92Å c: 127.39Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.16 0.157 0.217
Expression system: Cricetulus griseus