› 6ary

X-ray diffraction
2.26Å resolution

Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor

Released:
DOI: 10.2210/pdb6ary/pdb
PDB entry 6ary coloured by chain, front view.
PDB entry 6ary coloured by chain, side view.
PDB entry 6ary coloured by chain, top view.
Source organism: Anopheles gambiae
Primary publication:
Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Cheung J, Mahmood A, Kalathur R, Liu L, Carlier PR
Structure 26 130-136.e2 (2018)
PMID: 29276037

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183114 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 542 amino acids
Theoretical weight: 60.65 KDa
Source organism: Anopheles gambiae
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q869C3 (Residues: 162-702; Coverage: 77%)
Gene names: ACE1, ACHE1, AGAP001356, Ace
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand BT7 2 x BT7
Ligand NAG 3 x NAG
Ligand FLC 4 x FLC
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P61
Unit cell:
a: 150.333Å b: 150.333Å c: 226.478Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.163 0.162 0.186
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Anopheles metabolic proteins in malaria transmission, prevention and control: a review.
Adedeji et al. (2020)
2 more

8 mentions without citation

Potential of Essential Oil-Based Anticholinesterase Insecticides against Anopheles Vectors: A Review.
Rants'o et al. (2022)
7 more