› 5hf9

X-ray diffraction
2.2Å resolution

Crystal structure of human acetylcholinesterase in complex with paraoxon and HI6

Released:
DOI: 10.2210/pdb5hf9/pdb
PDB entry 5hf9 coloured by chain, front view.
PDB entry 5hf9 coloured by chain, side view.
PDB entry 5hf9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Franklin MC, Rudolph MJ, Ginter C, Cassidy MS, Cheung J
Proteins 84 1246-56 (2016)
PMID: 27191504

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149584 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 542 amino acids
Theoretical weight: 59.45 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P22303 (Residues: 33-574; Coverage: 93%)
Gene name: ACHE
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
6 bound ligands:
Ligand DEP 2 x DEP
Ligand EDO 4 x EDO
Ligand HI6 2 x HI6
Ligand NAG 1 x NAG
Ligand PE8 1 x PE8
Ligand NO3 1 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P3121
Unit cell:
a: 105.931Å b: 105.931Å c: 324.415Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.203 0.201 0.24
Expression system: Homo sapiens

Quick links

Citations

5 review citations

Recent developments in structural studies on acetylcholinesterase.
Silman et al. (2017)
4 more

8 mentions without citation

Future Therapeutic Perspectives into the Alzheimer's Disease Targeting the Oxidative Stress Hypothesis.
Teixeira et al. (2019)
7 more