› 6emi

X-ray diffraction
2.48Å resolution

Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria.

Released:
DOI: 10.2210/pdb6emi/pdb
PDB entry 6emi coloured by chain, front view.
PDB entry 6emi coloured by chain, side view.
PDB entry 6emi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development.
Brazzolotto X, Igert A, Guillon V, Santoni G, Nachon F
Molecules 22 (2017)
PMID: 29077024

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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138983 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 532 amino acids
Theoretical weight: 60.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P06276 (Residues: 29-557; Coverage: 92%)
Gene names: BCHE, CHE1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

5 bound ligands:
Ligand EDO 17 x EDO
Ligand PEG 4 x PEG
Ligand CL 7 x CL
Ligand PGE 9 x PGE
Ligand PG4 2 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 159.84Å b: 75.17Å c: 122.07Å
α: 90° β: 93.37° γ: 90°
R-values:
R R work R free
0.224 0.222 0.255
Expression system: Escherichia coli

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Citations

3 review citations

Practically useful protein-design methods combining phylogenetic and atomistic calculations.
Weinstein et al. (2020)
2 more

6 mentions without citation

Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development.
Brazzolotto et al. (2017)
5 more