2w6c

X-ray diffraction
2.69Å resolution

ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE

Released:

Function and Biology Details

Reaction catalysed:
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Acetylcholinesterase Chain: X
Molecule details ›
Chain: X
Length: 586 amino acids
Theoretical weight: 65.97 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 1-586; Coverage: 100%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P3121
Unit cell:
a: 112.172Å b: 112.172Å c: 137.568Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.185 0.235