ArticleBiophysical journal2011
Glu-286 rotation and water wire reorientation are unlikely the gating elements for proton pumping in cytochrome C oxidase.
Article in Biophysical journal, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Molecular and energetic basis of histidine switch dynamics in respiratory complex I.Protein science : a publication of the Protein Society · 2026Article
- A quantitative paradigm for water-assisted proton transport through proteins and other confined spaces.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Redox-Driven Proton Pumps of the Respiratory Chain.Biophysical journal · 2018Article
- Oxygen Activation and Energy Conservation by Cytochrome c Oxidase.Chemical reviews · 2018Review
- Cavity hydration dynamics in cytochromeProceedings of the National Academy of Sciences of the United States of America · 2017Article
- Understanding the essential proton-pumping kinetic gates and decoupling mutations in cytochromeProceedings of the National Academy of Sciences of the United States of America · 2017Article
- Structural Changes and Proton Transfer in Cytochrome c Oxidase.Scientific reports · 2015Article
- Proton-coupled electron transfer and the role of water molecules in proton pumping by cytochrome c oxidase.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Microscopic basis for kinetic gating in Cytochrome c oxidase: insights from QM/MM analysis.Chemical science · 2015Article
- Proton translocation in cytochrome c oxidase: insights from proton exchange kinetics and vibrational spectroscopy.Biochimica et biophysica acta · 2015Review
- Proton transfer in the K-channel analog of B-type Cytochrome c oxidase from Thermus thermophilus.Biophysical journal · 2014Article
- Changing hydration level in an internal cavity modulates the proton affinity of a key glutamate in cytochrome c oxidase.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
- Voltage-gated proton channels: molecular biology, physiology, and pathophysiology of the H(V) family.Physiological reviews · 2013Review
- Proton-pumping mechanism of cytochrome c oxidase: a kinetic master-equation approach.Biochimica et biophysica acta · 2012Review
- Expanding the view of proton pumping in cytochrome c oxidase through computer simulation.Biochimica et biophysica acta · 2012Article
- Coupled electron and proton transfer reactions during the O→E transition in bovine cytochrome c oxidase.Biochimica et biophysica acta · 2012Review
- Insights into the mechanism of proton transport in cytochrome c oxidase.Journal of the American Chemical Society · 2012Article
- Molecular mechanisms for generating transmembrane proton gradients.Biochimica et biophysica actaReview
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2 authors.
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Abstract
One of the key unresolved issues regarding proton pumping in cytochrome c oxidase (CcO) is the identity of the gating element that prevents the backflow of protons. In this study, we analyze two popular proposals for this element: isomerization of the key branching residue (Glu-286) and (re)orientation of water molecules in the hydrophobic cavity. Using a multifaceted set of computational analyses that involve CcO embedded in either an implicit or explicit treatment of lipid membrane, we show that neither Glu-286 nor active-site water likely constitutes the gating element. Detailed energetic and structural analyses of the simulation results indicate that the gating-relevant properties of these structural motifs observed in previous work are likely a result of the simplified computational models employed in those studies.
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