Application of a Statistical and Linear Response Theory to Multi-Ion Na
NaChBac
ion channel
ionic transport
linear response
statistical theory
Journal
Entropy (Basel, Switzerland)
ISSN: 1099-4300
Titre abrégé: Entropy (Basel)
Pays: Switzerland
ID NLM: 101243874
Informations de publication
Date de publication:
21 Feb 2021
21 Feb 2021
Historique:
received:
11
12
2020
revised:
03
02
2021
accepted:
11
02
2021
entrez:
6
3
2021
pubmed:
7
3
2021
medline:
7
3
2021
Statut:
epublish
Résumé
Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na+ conduction through the prokaryotic Na+ 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 ∼4,2.9,3.6, and 4kT.
Identifiants
pubmed: 33670053
pii: e23020249
doi: 10.3390/e23020249
pmc: PMC7926348
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Leverhulme Trust
ID : RPG-2017-134
Organisme : Engineering and Physical Sciences Research Council
ID : EP/M016889/1
Organisme : Engineering and Physical Sciences Research Council
ID : EP/M015831/1
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