DOI: 10.1016/s0014-5793(01)02381-x. Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

10.1016/s0014-5793(01)02381-x

Crossref journal-article

Wiley

FEBS Letters (311)

Abstract

We report results from automated docking and microscopic molecular dynamics simulations of the tetraethylammonium (TEA) complexes with KcsA. Binding modes and energies for TEA binding at the external and internal sides of the channel pore are examined utilising the linear interaction energy method. Effects of the channel ion occupancy (based on our previous results for the ion permeation mechanisms) on the binding energies are considered. Calculations show that TEA forms stable complexes at both the external and internal entrances of the selectivity filter. Furthermore, the effects of the Y82V mutation are evaluated and the results show, in agreement with experimental data, that the mutant has a significantly reduced binding affinity for TEA at the external binding site, which is attributed to stabilising hydrophobic interactions between the ligand and the tyrosines.

Bibliography

Luzhkov, V. B., & Ãqvist, J. (2001). Mechanisms of tetraethylammonium ion block in the KcsA potassium channel. FEBS Letters, 495(3), 191â196. Portico.

Authors 2

Victor B Luzhkov (first)
Johan Åqvist (additional)

References 32 Referenced 76

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Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 5:59 p.m.)
Deposited	2 months ago (July 1, 2025, 12:30 a.m.)
Indexed	1 month ago (Aug. 3, 2025, 6:46 p.m.)
Issued	24 years, 4 months ago (April 25, 2001)
Published	24 years, 4 months ago (April 25, 2001)
Published Online	24 years, 4 months ago (April 25, 2001)
Published Print	24 years, 4 months ago (April 27, 2001)

Funders 0

None

BibTeX

@article{Luzhkov_2001, title={Mechanisms of tetraethylammonium ion block in the KcsA potassium channel}, volume={495}, ISSN={1873-3468}, url={http://dx.doi.org/10.1016/s0014-5793(01)02381-x}, DOI={10.1016/s0014-5793(01)02381-x}, number={3}, journal={FEBS Letters}, publisher={Wiley}, author={Luzhkov, Victor B and Åqvist, Johan}, year={2001}, month=apr, pages={191–196} }

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