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Main Authors: Ishikawa-Fukuda, Moe, Seki, Takehito, Kishikawa, Jun-Ichi, Masuya, Takahiro, Okazaki, Kei-Ichi, Kato, Takayuki, Barquera, Blanca, Miyoshi, Hideto, Murai, Masatoshi
Format: Artículo científico
Language:en
Published: Nature communications 2026
Subjects:
Online Access:https://pubmed.ncbi.nlm.nih.gov/41680184/
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author Ishikawa-Fukuda, Moe
Seki, Takehito
Kishikawa, Jun-Ichi
Masuya, Takahiro
Okazaki, Kei-Ichi
Kato, Takayuki
Barquera, Blanca
Miyoshi, Hideto
Murai, Masatoshi
author_facet Ishikawa-Fukuda, Moe
Seki, Takehito
Kishikawa, Jun-Ichi
Masuya, Takahiro
Okazaki, Kei-Ichi
Kato, Takayuki
Barquera, Blanca
Miyoshi, Hideto
Murai, Masatoshi
Ishikawa-Fukuda, Moe
Seki, Takehito
Kishikawa, Jun-Ichi
Masuya, Takahiro
Okazaki, Kei-Ichi
Kato, Takayuki
Barquera, Blanca
Miyoshi, Hideto
Murai, Masatoshi
collection PubMed - marine biology
contents The redox driven Na-pumping mechanism in Vibrio cholerae NADH-quinone oxidoreductase relies on dynamic conformational changes. Ishikawa-Fukuda, Moe Seki, Takehito Kishikawa, Jun-Ichi Masuya, Takahiro Okazaki, Kei-Ichi Kato, Takayuki Barquera, Blanca Miyoshi, Hideto Murai, Masatoshi Vibrio cholerae Oxidation-Reduction Sodium Molecular Dynamics Simulation Bacterial Proteins Quinone Reductases Protein Conformation Electron Transport Protein Subunits The Na-pumping NADH-quinone oxidoreductase (Na-NQR) is a key respiratory enzyme in many marine and pathogenic bacteria that couples electron transfer to Na-pumping across the membrane. Earlier X-ray and cryo-electron microscopy structures of Na-NQR from Vibrio cholerae suggested that the subunits harboring redox cofactors undergo conformational changes during catalytic turnover. However, these proposed rearrangements have not yet been confirmed. Here, we have identified at least five distinct conformational states of Na-NQR using: mutants that lack specific cofactors, specific inhibitors or low-sodium conditions. Molecular dynamics simulations based on these structural insights indicate that 2Fe-2S reduction in NqrD/E plays a crucial role in triggering Na translocation by driving structural rearrangements in the NqrD/E subunits, which subsequently influence NqrC and NqrF positioning. This study provides structural insights into the mechanism of Na translocation coupled to electron transfer in Na⁺-NQR.
format Artículo científico
id pubmed_41680184
institution PubMed
language en
publishDate 2026
publisher Nature communications
record_format pubmed
spellingShingle The redox driven Na-pumping mechanism in Vibrio cholerae NADH-quinone oxidoreductase relies on dynamic conformational changes.
Ishikawa-Fukuda, Moe
Seki, Takehito
Kishikawa, Jun-Ichi
Masuya, Takahiro
Okazaki, Kei-Ichi
Kato, Takayuki
Barquera, Blanca
Miyoshi, Hideto
Murai, Masatoshi
Vibrio cholerae
Oxidation-Reduction
Sodium
Molecular Dynamics Simulation
Bacterial Proteins
Quinone Reductases
Protein Conformation
Electron Transport
Protein Subunits
The redox driven Na-pumping mechanism in Vibrio cholerae NADH-quinone oxidoreductase relies on dynamic conformational changes. Ishikawa-Fukuda, Moe Seki, Takehito Kishikawa, Jun-Ichi Masuya, Takahiro Okazaki, Kei-Ichi Kato, Takayuki Barquera, Blanca Miyoshi, Hideto Murai, Masatoshi Vibrio cholerae Oxidation-Reduction Sodium Molecular Dynamics Simulation Bacterial Proteins Quinone Reductases Protein Conformation Electron Transport Protein Subunits The Na-pumping NADH-quinone oxidoreductase (Na-NQR) is a key respiratory enzyme in many marine and pathogenic bacteria that couples electron transfer to Na-pumping across the membrane. Earlier X-ray and cryo-electron microscopy structures of Na-NQR from Vibrio cholerae suggested that the subunits harboring redox cofactors undergo conformational changes during catalytic turnover. However, these proposed rearrangements have not yet been confirmed. Here, we have identified at least five distinct conformational states of Na-NQR using: mutants that lack specific cofactors, specific inhibitors or low-sodium conditions. Molecular dynamics simulations based on these structural insights indicate that 2Fe-2S reduction in NqrD/E plays a crucial role in triggering Na translocation by driving structural rearrangements in the NqrD/E subunits, which subsequently influence NqrC and NqrF positioning. This study provides structural insights into the mechanism of Na translocation coupled to electron transfer in Na⁺-NQR.
title The redox driven Na-pumping mechanism in Vibrio cholerae NADH-quinone oxidoreductase relies on dynamic conformational changes.
topic Vibrio cholerae
Oxidation-Reduction
Sodium
Molecular Dynamics Simulation
Bacterial Proteins
Quinone Reductases
Protein Conformation
Electron Transport
Protein Subunits
url https://pubmed.ncbi.nlm.nih.gov/41680184/