Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting

Cation-proton antiporters mediate selective ion exchange across cellular membranes to control pH, salt concentration and cell volume. Here the authors present a transition-path sampling method that overcomes the timescale gap between simulations (µs) and transport processes (s), which allows them to...

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Main Authors: Kei-ichi Okazaki, David Wöhlert, Judith Warnau, Hendrik Jung, Özkan Yildiz, Werner Kühlbrandt, Gerhard Hummer
Format: Article
Language:English
Published: Nature Publishing Group 2019-04-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-09739-0
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spelling doaj-d96f57b101b645f8954b444ea2b082fa2021-05-11T12:00:27ZengNature Publishing GroupNature Communications2041-17232019-04-0110111010.1038/s41467-019-09739-0Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shootingKei-ichi Okazaki0David Wöhlert1Judith Warnau2Hendrik Jung3Özkan Yildiz4Werner Kühlbrandt5Gerhard Hummer6Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, National Institutes of Natural SciencesDepartment of Structural Biology, Max Planck Institute of BiophysicsDepartment of Theoretical Biophysics, Max Planck Institute of BiophysicsDepartment of Theoretical Biophysics, Max Planck Institute of BiophysicsDepartment of Structural Biology, Max Planck Institute of BiophysicsDepartment of Structural Biology, Max Planck Institute of BiophysicsDepartment of Theoretical Biophysics, Max Planck Institute of BiophysicsCation-proton antiporters mediate selective ion exchange across cellular membranes to control pH, salt concentration and cell volume. Here the authors present a transition-path sampling method that overcomes the timescale gap between simulations (µs) and transport processes (s), which allows them to resolve the Na+ and H+ transport cycle of the Na+/H+ antiporter NhaP from Pyrococcus abyssi.https://doi.org/10.1038/s41467-019-09739-0
collection DOAJ
language English
format Article
sources DOAJ
author Kei-ichi Okazaki
David Wöhlert
Judith Warnau
Hendrik Jung
Özkan Yildiz
Werner Kühlbrandt
Gerhard Hummer
spellingShingle Kei-ichi Okazaki
David Wöhlert
Judith Warnau
Hendrik Jung
Özkan Yildiz
Werner Kühlbrandt
Gerhard Hummer
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
Nature Communications
author_facet Kei-ichi Okazaki
David Wöhlert
Judith Warnau
Hendrik Jung
Özkan Yildiz
Werner Kühlbrandt
Gerhard Hummer
author_sort Kei-ichi Okazaki
title Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
title_short Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
title_full Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
title_fullStr Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
title_full_unstemmed Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting
title_sort mechanism of the electroneutral sodium/proton antiporter panhap from transition-path shooting
publisher Nature Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2019-04-01
description Cation-proton antiporters mediate selective ion exchange across cellular membranes to control pH, salt concentration and cell volume. Here the authors present a transition-path sampling method that overcomes the timescale gap between simulations (µs) and transport processes (s), which allows them to resolve the Na+ and H+ transport cycle of the Na+/H+ antiporter NhaP from Pyrococcus abyssi.
url https://doi.org/10.1038/s41467-019-09739-0
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