› 5x61

X-ray diffraction
3.4Å resolution

Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A

Released:
DOI: 10.2210/pdb5x61/pdb
PDB entry 5x61 coloured by chain, front view.
PDB entry 5x61 coloured by chain, side view.
PDB entry 5x61 coloured by chain, top view.
Source organism: Anopheles gambiae
Primary publication:
Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae.
Han Q, Wong DM, Robinson H, Ding H, Lam PCH, Totrov MM, Carlier PR, Li J
Insect Sci 25 721-724 (2018)
PMID: 28247978

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
Macromolecules (2 distinct):
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 553 amino acids
Theoretical weight: 61.68 KDa
Source organism: Anopheles gambiae
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q869C3 (Residues: 162-714; Coverage: 79%)
Gene names: ACE1, ACHE1, AGAP001356, Ace
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand SO4 16 x SO4
Ligand NH4 2 x NH4
Ligand EPE 2 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P61
Unit cell:
a: 148.723Å b: 148.723Å c: 225.796Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.194 0.221
Expression system: Komagataella pastoris

Quick links

Citations

5 citation in other articles

Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against Malaria Vector Anopheles arabiensis, In Silico ADMET Prediction and Molecular Target Investigation.
Venugopala et al. (2020)
4 more

9 mentions without citation

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