› 6xyu

X-ray diffraction
2.51Å resolution

Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine

Released:
DOI: 10.2210/pdb6xyu/pdb
PDB entry 6xyu coloured by chain, front view.
PDB entry 6xyu coloured by chain, side view.
PDB entry 6xyu coloured by chain, top view.
Source organism: Drosophila melanogaster
Primary publication:
A Second Look at the Crystal Structures of Drosophila melanogaster Acetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Nachon F, Rosenberry TL, Silman I, Sussman JL
Molecules 25 (2020)
PMID: 32155891

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-139396 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 581 amino acids
Theoretical weight: 64.65 KDa
Source organism: Drosophila melanogaster
Expression system: Drosophila melanogaster
UniProt:
  • Canonical: P07140 (Residues: 39-619; Coverage: 95%)
Gene names: Ace, CG17907
Sequence domains: Carboxylesterase family

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
2 bound ligands:
Ligand I40 1 x I40
Ligand IOD 1 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P43212
Unit cell:
a: 94.91Å b: 94.91Å c: 160.04Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.252
Expression system: Drosophila melanogaster

Quick links

Citations

1 review citation

A Comprehensive Review of Cholinesterase Modeling and Simulation.
De Boer et al. (2021)
1 other article

2 mentions without citation

A Second Look at the Crystal Structures of Drosophila melanogaster Acetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Nachon et al. (2020)
1 more