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TitleComparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Journal, issue, pagesMolecules, Vol. 22, Year 2017
Publish dateOct 10, 2017 (structure data deposition date)
AuthorsRosenberry, T.L. / Brazzolotto, X. / Macdonald, I.R. / Wandhammer, M. / Trovaslet-Leroy, M. / Darvesh, S. / Nachon, F.
External linksMolecules / PubMed:29186056
MethodsX-ray diffraction
Resolution2.30005381157 - 2.97984513804 Å
Structure data

PDB-6ep4:
Human butyrylcholinesterase in complex with decamethonium
Method: X-RAY DIFFRACTION / Resolution: 2.30005381157 Å

PDB-6eqp:
Human butyrylcholinesterase in complex with ethopropazine
Method: X-RAY DIFFRACTION / Resolution: 2.34941708483 Å

PDB-6eqq:
Human butyrylcholinesterase in complex with huprine 19
Method: X-RAY DIFFRACTION / Resolution: 2.40000447819 Å

PDB-6esj:
Human butyrylcholinesterase in complex with propidium
Method: X-RAY DIFFRACTION / Resolution: 2.97984513804 Å

PDB-6esy:
Human butyrylcholinesterase in complex with thioflavine T
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-DME:
DECAMETHONIUM ION

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BUW:
R-ethopropazine

ChemComp-ZN:
Unknown entry

ChemComp-H19:
huprine 19

ChemComp-BR:
BROMIDE ION

ChemComp-GOL:
GLYCEROL


ChemComp, No image

ChemComp-UNL:
Unknown ligand

ChemComp-PRM:
3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM

ChemComp-GLY:
GLYCINE

ChemComp-TFX:
2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Complex / Inhibitor / Quaternary Ammonium / Phenothiazine / huprine / Butyrylcholinesterase

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