› 2wif

X-ray diffraction
2.25Å resolution

AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1

Released:
DOI: 10.2210/pdb2wif/pdb
PDB entry 2wif coloured by chain, front view.
PDB entry 2wif coloured by chain, side view.
PDB entry 2wif 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 (3 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 529 amino acids
Theoretical weight: 59.7 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, FUL
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUL
Carbohydrate polymer
5 bound ligands:
Ligand NA 1 x NA
Ligand CL 3 x CL
Ligand TN6 1 x TN6
Ligand SO4 2 x SO4
Ligand NAG 3 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: I422
Unit cell:
a: 154.39Å b: 154.39Å c: 126.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.207 0.275
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