ArticleBiophysical journal2003
What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposals.
Article in Biophysical journal, 2003. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 59 papers.
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Who cites it
59 citing papers in PubMed.
- Towards next generation enzyme mimics through local electric field control in organic cage catalysts.Chemical science · 2026Article
- Interfaces govern the structure of angstrom-scale confined water solutions.Nature communications · 2025Article
- Identification of a large anion channel required for digestive vacuole acidification and amino acid export in Plasmodium falciparum.PLoS biology · 2025Article
- An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection.ACS physical chemistry Au · 2025Article
- Proton reactions: From basic science to biomedical applications.Biophysical journal · 2024Article
- Review
- Quinone Catalysis Modulates Proton Transfer Reactions in the Membrane Domain of Respiratory Complex I.Journal of the American Chemical Society · 2023Article
- Exploring the Extreme Acid Tolerance of a Dynamic Protein Nanocage.Biomacromolecules · 2023Article
- Structure and function of a silicic acid channel Lsi1.Frontiers in plant science · 2022Review
- Improved Indicator Algorithms for Tracking a Hydrated Proton as A Local Structural Defect in Grotthuss Diffusion in Aqueous Solutions.Chemical physics letters · 2021Article
- Molecular Dynamics Simulations of Mitochondrial Uncoupling Protein 2.International journal of molecular sciences · 2021Article
- Water in Nanopores and Biological Channels: A Molecular Simulation Perspective.Chemical reviews · 2020Review
- Increasing Salt Rejection of Polybenzimidazole Nanofiltration Membranes via the Addition of Immobilized and Aligned Aquaporins.Processes (Basel, Switzerland) · 2019Article
- Proton translocation in cytochrome c oxidase: insights from proton exchange kinetics and vibrational spectroscopy.Biochimica et biophysica acta · 2015Review
- Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins.Applied physics letters · 2014Article
- Aquaporins: important but elusive drug targets.Nature reviews. Drug discovery · 2014Review
- Philosophy of voltage-gated proton channels.Journal of the Royal Society, Interface · 2014Review
- Subangstrom resolution X-ray structure details aquaporin-water interactions.Science (New York, N.Y.) · 2013Article
- Molecular dynamics of water in the neighborhood of aquaporins.European biophysics journal : EBJ · 2013Review
- Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway.Structure (London, England : 1993) · 2013Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
The nature of the control of water/proton selectivity in biological channels is a problem of a fundamental importance. Most studies of this issue have proposed that an interference with the orientational requirements of the so-called proton wire is the source of selectivity. The elucidation of the structures of aquaporins, which have evolved to prevent proton transfer (PT), provided a clear benchmark for exploring the selectivity problem. Previous simulations of this system have not examined, however, the actual issue of PT, but only considered the much simpler task of the transfer of water molecules. Here we take aquaporin as a benchmark and quantify the origin of the water/proton selectivity in this and related systems. This is done by evaluating in a consistent way the free energy profile for transferring a proton along the channel and relating this profile to the relevant PT rate constants. It is found that the water/proton selectivity is controlled by the change in solvation free energy upon moving the charged proton from water to the channel. The reason for the focus on the elegant concept of the proton wire and the related Grotthuss-type mechanism is also considered. It is concluded that these mechanisms are clearly important in cases with flat free energy surfaces (e.g., in bulk water, in gas phase water chains, and in infinitely long channels). However, in cases of biological channels, the actual PT mechanism is much less important than the energetics of transferring the proton charge from water to different regions in the channels.
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