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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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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]. |
format | Online Article Text |
id | pubmed-7926348 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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