Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels

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Fundamental concepts governing ion selectivity in narrow pores are reviewed and the microscopic factors responsible for the lack of selectivity of the NaK channel, which is structurally similar to the K(+)-selective KcsA channel, are elucidated on the basis of all-atom molecular dynamics free energy...

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Detalles Bibliográficos
Autores principales: Noskov, Sergei Yu., Roux, Benoît
Formato: Texto
Lenguaje:English
Publicado: The Rockefeller University Press 2007
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2154357/
https://www.ncbi.nlm.nih.gov/pubmed/17227917
http://dx.doi.org/10.1085/jgp.200609633
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author Noskov, Sergei Yu.
Roux, Benoît
author_facet Noskov, Sergei Yu.
Roux, Benoît
author_sort Noskov, Sergei Yu.
collection PubMed
description Fundamental concepts governing ion selectivity in narrow pores are reviewed and the microscopic factors responsible for the lack of selectivity of the NaK channel, which is structurally similar to the K(+)-selective KcsA channel, are elucidated on the basis of all-atom molecular dynamics free energy simulations. The results on NaK are contrasted and compared with previous studies of the KcsA channel. Analysis indicates that differences in hydration of the cation in the pore of NaK is at the origin of the lack of selectivity of NaK.
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spelling pubmed-21543572008-01-17 Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels Noskov, Sergei Yu. Roux, Benoît J Gen Physiol Articles Fundamental concepts governing ion selectivity in narrow pores are reviewed and the microscopic factors responsible for the lack of selectivity of the NaK channel, which is structurally similar to the K(+)-selective KcsA channel, are elucidated on the basis of all-atom molecular dynamics free energy simulations. The results on NaK are contrasted and compared with previous studies of the KcsA channel. Analysis indicates that differences in hydration of the cation in the pore of NaK is at the origin of the lack of selectivity of NaK. The Rockefeller University Press 2007-02 /pmc/articles/PMC2154357/ /pubmed/17227917 http://dx.doi.org/10.1085/jgp.200609633 Text en Copyright © 2007, The Rockefeller University Press This article is distributed under the terms of an Attribution–Noncommercial–Share Alike–No Mirror Sites license for the first six months after the publication date (see http://www.rupress.org/terms). After six months it is available under a Creative Commons License (Attribution–Noncommercial–Share Alike 4.0 Unported license, as described at http://creativecommons.org/licenses/by-nc-sa/4.0/).
spellingShingle Articles
Noskov, Sergei Yu.
Roux, Benoît
Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title_full Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title_fullStr Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title_full_unstemmed Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title_short Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels
title_sort importance of hydration and dynamics on the selectivity of the kcsa and nak channels
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2154357/
https://www.ncbi.nlm.nih.gov/pubmed/17227917
http://dx.doi.org/10.1085/jgp.200609633
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