› 6uqw

X-ray diffraction
1.65Å resolution

Crystal structure of ChoE in complex with acetate and thiocholine

Released:
DOI: 10.2210/pdb6uqw/pdb
PDB entry 6uqw coloured by chain, front view.
PDB entry 6uqw coloured by chain, side view.
PDB entry 6uqw coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
Pham VD, To TA, Gagné-Thivierge C, Couture M, Lagüe P, Yao D, Picard MÈ, Lortie LA, Attéré SA, Zhu X, Levesque RC, Charette SJ, Shi R
J Biol Chem 295 8708-8724 (2020)
PMID: 32371400

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190970 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ChoE Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 31.54 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HUP2 (Residues: 21-307; Coverage: 100%)
Gene names: PA4921, choE
Sequence domains: GDSL-like Lipase/Acylhydrolase

Ligands and Environments

3 bound ligands:
Ligand ACT 2 x ACT
Ligand ETM 3 x ETM
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 45.81Å b: 81.76Å c: 81.36Å
α: 90° β: 99.8° γ: 90°
R-values:
R R work R free
0.187 0.185 0.226
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

Biofilm formation as an extra gear for Apilactobacillus kunkeei to counter the threat of agrochemicals in honeybee crop.
Tlais et al. (2022)
1 more

2 mentions without citation

CE16 acetylesterases: in silico analysis, catalytic machinery prediction and comparison with related SGNH hydrolases.
Urbániková Ľ. (2021)
1 more