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Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac

Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na [Formula: see text] conduction through the prokaryotic Na [Formula: see text] channel NaChBac. This work is extended theoretically...

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Autores principales: Gibby, William A. T., Fedorenko, Olena A., Guardiani, Carlo, Barabash, Miraslau L., Mumby, Thomas, Roberts, Stephen K., Luchinsky, Dmitry G., McClintock, Peter V. E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7926348/
https://www.ncbi.nlm.nih.gov/pubmed/33670053
http://dx.doi.org/10.3390/e23020249
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author Gibby, William A. T.
Fedorenko, Olena A.
Guardiani, Carlo
Barabash, Miraslau L.
Mumby, Thomas
Roberts, Stephen K.
Luchinsky, Dmitry G.
McClintock, Peter V. E.
author_facet Gibby, William A. T.
Fedorenko, Olena A.
Guardiani, Carlo
Barabash, Miraslau L.
Mumby, Thomas
Roberts, Stephen K.
Luchinsky, Dmitry G.
McClintock, Peter V. E.
author_sort Gibby, William A. T.
collection PubMed
description Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na [Formula: see text] conduction through the prokaryotic Na [Formula: see text] channel NaChBac. This work is extended theoretically by the derivation of ionic conductivity and current in an electrochemical gradient, thus enabling us to compare to a range of whole-cell data sets performed on this channel. Furthermore, we also compare the magnitudes of the currents and populations at each binding site to previously published single-channel recordings and molecular dynamics simulations respectively. In doing so, we find excellent agreement between theory and data, with predicted energy barriers at each of the four binding sites of [Formula: see text] , and [Formula: see text].
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spelling pubmed-79263482021-03-04 Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac Gibby, William A. T. Fedorenko, Olena A. Guardiani, Carlo Barabash, Miraslau L. Mumby, Thomas Roberts, Stephen K. Luchinsky, Dmitry G. McClintock, Peter V. E. Entropy (Basel) Article Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na [Formula: see text] conduction through the prokaryotic Na [Formula: see text] channel NaChBac. This work is extended theoretically by the derivation of ionic conductivity and current in an electrochemical gradient, thus enabling us to compare to a range of whole-cell data sets performed on this channel. Furthermore, we also compare the magnitudes of the currents and populations at each binding site to previously published single-channel recordings and molecular dynamics simulations respectively. In doing so, we find excellent agreement between theory and data, with predicted energy barriers at each of the four binding sites of [Formula: see text] , and [Formula: see text]. MDPI 2021-02-21 /pmc/articles/PMC7926348/ /pubmed/33670053 http://dx.doi.org/10.3390/e23020249 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Gibby, William A. T.
Fedorenko, Olena A.
Guardiani, Carlo
Barabash, Miraslau L.
Mumby, Thomas
Roberts, Stephen K.
Luchinsky, Dmitry G.
McClintock, Peter V. E.
Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title_full Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title_fullStr Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title_full_unstemmed Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title_short Application of a Statistical and Linear Response Theory to Multi-Ion Na(+) Conduction in NaChBac
title_sort application of a statistical and linear response theory to multi-ion na(+) conduction in nachbac
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7926348/
https://www.ncbi.nlm.nih.gov/pubmed/33670053
http://dx.doi.org/10.3390/e23020249
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