› 2wil

X-ray diffraction
3.1Å resolution

AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5

Released:
DOI: 10.2210/pdb2wil/pdb
PDB entry 2wil coloured by chain, front view.
PDB entry 2wil coloured by chain, side view.
PDB entry 2wil coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Carletti E, Aurbek N, Gillon E, Loiodice M, Nicolet Y, Fontecilla-Camps JC, Masson P, Thiermann H, Nachon F, Worek F
Biochem J 421 97-106 (2009)
PMID: 19368529

Function and Biology Details

Reaction catalysed: 
An acylcholine + H(2)O = choline + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138986 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 529 amino acids
Theoretical weight: 59.69 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P06276 (Residues: 29-557; Coverage: 92%)
Gene names: BCHE, CHE1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
4 bound ligands:
Ligand TCX 2 x TCX
Ligand NAG 6 x NAG
Ligand SO4 3 x SO4
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P4212
Unit cell:
a: 150.35Å b: 150.35Å c: 139.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.22 0.253
Expression system: Cricetulus griseus

Quick links

Citations

7 review citations

Butyrylcholinesterase for protection from organophosphorus poisons: catalytic complexities and hysteretic behavior.
Masson et al. (2010)
6 more

1 mention without citation

A computational drug-target network for yuanhu zhitong prescription.
Xu et al. (2013)