› 8qtw

X-ray diffraction
2.24Å resolution

Structure of human butyrylcholinesterase with (3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl)(methyl)carbamoylated Ser198

Released:
DOI: 10.2210/pdb8qtw/pdb
PDB entry 8qtw coloured by chain, front view.
PDB entry 8qtw coloured by chain, side view.
PDB entry 8qtw coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Brazzolotto X, Meden A, Knez D, Gobec S, Nachon F

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 529 amino acids
Theoretical weight: 59.71 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

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
7 bound ligands:
Ligand NAG 1 x NAG
Ligand GOL 5 x GOL
Ligand MES 1 x MES
Ligand GOA 1 x GOA
Ligand SIA 1 x SIA
Ligand WXR 1 x WXR
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: I422
Unit cell:
a: 154.231Å b: 154.231Å c: 127.979Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.218
Expression system: Cricetulus griseus

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