› 6rua

X-ray diffraction
2.75Å resolution

Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.

Released:
DOI: 10.2210/pdb6rua/pdb
PDB entry 6rua coloured by chain, front view.
PDB entry 6rua coloured by chain, side view.
PDB entry 6rua coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
Pajk S, Knez D, Košak U, Zorović M, Brazzolotto X, Coquelle N, Nachon F, Colletier JP, Živin M, Stojan J, Gobec S
J Enzyme Inhib Med Chem 35 498-505 (2020)
PMID: 31914836

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
Macromolecules (5 distinct):
Cholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 574 amino acids
Theoretical weight: 65.15 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P06276 (Residues: 29-602; Coverage: 100%)
Gene names: BCHE, CHE1
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUL
Carbohydrate polymer
6 bound ligands:
Ligand NAG 6 x NAG
Ligand EDO 9 x EDO
Ligand CL 5 x CL
Ligand PEG 1 x PEG
Ligand KJT 1 x KJT
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 76.29Å b: 80.2Å c: 231.35Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.237
Expression system: Cricetulus griseus

Quick links

Citations

2 citation in other articles

Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry.
Zueva et al. (2020)
1 more

1 mention without citation

Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
Pajk et al. (2020)