ArticleBiophysical journal2002
K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study.
Article in Biophysical journal, 2002. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 53 papers.
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Who cites it
53 citing papers in PubMed.
- Similarity of the ion occupations of KChannels (Austin, Tex.) · 2026Article
- Molecular mechanism of calcium inhibition in viral channelrhodopsins.Nature communications · 2026Article
- High-Throughput MicroED for Probing Ion Channel Dynamics.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Short-term plasticity as 'energetic memory' of ion channel components of action potential.Royal Society open science · 2024Article
- Ion behavior in the selectivity filter of HCN1 channels.Biophysical journal · 2022Article
- Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design.Frontiers in pharmacology · 2022Review
- Conductance selectivity of NaProceedings of the National Academy of Sciences of the United States of America · 2021Article
- Comparison of KHandbook of experimental pharmacology · 2021Article
- Selectivity filter modalities and rapid inactivation of the hERG1 channel.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Potassium channel selectivity filter dynamics revealed by single-molecule FRET.Nature chemical biology · 2019Article
- Direct knock-on of desolvated ions governs strict ion selectivity in KNature chemistry · 2018Article
- Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6.Scientific reports · 2018Article
- A single NaK channel conformation is not enough for non-selective ion conduction.Nature communications · 2018Article
- Ion channels and ion selectivity.Essays in biochemistry · 2017Review
- An Overview of Sub-Cellular Mechanisms Involved in the Action of TTFields.International journal of environmental research and public health · 2016Review
- Voltage Dependence of Conformational Dynamics and Subconducting States of VDAC-1.Biophysical journal · 2016Article
- Multi-ion free energy landscapes underscore the microscopic mechanism of ion selectivity in the KcsA channel.Biochimica et biophysica acta · 2016Article
- Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Channel function reconstitution and re-animation: a single-channel strategy in the postcrystal age.The Journal of physiology · 2015Review
- Hydration energies of protonated and sodiated thiouracils.Journal of the American Society for Mass Spectrometry · 2014Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular dynamics simulations of a bacterial potassium channel (KcsA) embedded in a phospholipid bilayer reveal significant differences in interactions of the selectivity filter with K(+) compared with Na(+) ions. K(+) ions and water molecules within the filter undergo concerted single-file motion in which they translocate between adjacent sites within the filter on a nanosecond timescale. In contrast, Na(+) ions remain bound to sites within the filter and do not exhibit translocation on a nanosecond timescale. Furthermore, entry of a K(+) ion into the filter from the extracellular mouth is observed, whereas this does not occur for a Na(+) ion. Whereas K(+) ions prefer to sit within a cage of eight oxygen atoms of the filter, Na(+) ions prefer to interact with a ring of four oxygen atoms plus two water molecules. These differences in interactions in the selectivity filter may contribute to the selectivity of KcsA for K(+) ions (in addition to the differences in dehydration energy between K(+) and Na(+)) and the block of KcsA by internal Na(+) ions. In our simulations the selectivity filter exhibits significant flexibility in response to changes in ion/protein interactions, with a somewhat greater distortion induced by Na(+) than by K(+) ions.
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