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  The persistent question of potassium channel permeation mechanisms

Mironenko, A., Zachariae, U., de Groot, B. L., & Kopec, W. (2021). The persistent question of potassium channel permeation mechanisms. Journal of Molecular Biology, 433(17): 167002. doi:10.1016/j.jmb.2021.167002.

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 Creators:
Mironenko, A.1, Author              
Zachariae, U., Author
de Groot, B. L.2, Author              
Kopec, W.2, Author              
Affiliations:
1Research Group of Computational Biomolecular Dynamics, MPI for Biophysical Chemistry, Max Planck Society, ou_578573              
2Research Group of Computational Biomolecular Dynamics, MPI for biophysical chemistry, Max Planck Society, ou_578573              

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Free keywords: potassium channels; ion permeation; membrane transport; molecular dynamics; simulations
 Abstract: Potassium channels play critical roles in many physiological processes, providing a selective permeation route for K+ ions in and out of a cell, by employing a carefully designed selectivity filter, evolutionarily conserved from viruses to mammals. The structure of the selectivity filter was determined at atomic resolution by x-ray crystallography, showing a tight coordination of desolvated K+ ions by the channel. However, the molecular mechanism of K+ ions permeation through potassium channels remains unclear, with structural, functional and computational studies often providing conflicting data and interpretations. In this review, we will present the proposed mechanisms, discuss their origins, and will critically assess them against all available data. General properties shared by all potassium channels are introduced first, followed by the introduction of two main mechanisms of ion permeation: soft and direct knock-on. Then, we will discuss critical computational and experimental studies that shaped the field. We will especially focus on molecular dynamics (MD) simulations, that provided mechanistic and energetic aspects of K+ permeation, but at the same time created long-standing controversies. Further challenges and possible solutions are presented as well.

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Language(s): eng - English
 Dates: 2021-04-202021-08-20
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.jmb.2021.167002
 Degree: -

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Title: Journal of Molecular Biology
Source Genre: Journal
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Pages: - Volume / Issue: 433 (17) Sequence Number: 167002 Start / End Page: - Identifier: -