6o66

X-ray diffraction
2.45Å resolution

Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B

Released:

Function and Biology Details

Reaction catalysed:
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 550 amino acids
Theoretical weight: 60.39 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P22303 (Residues: 32-578; Coverage: 94%)
Gene name: ACHE
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P31
Unit cell:
a: 124.375Å b: 124.375Å c: 129.304Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.207 0.229
Expression system: Homo sapiens