ArticleBiophysical journal2008
The selectivity of K+ ion channels: testing the hypotheses.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
- Do selectivity filter carbonyls in KJournal of structural biology: X · 2024Article
- KCNT1 Channel Blockers: A Medicinal Chemistry Perspective.Molecules (Basel, Switzerland) · 2024Review
- The Molecular Mechanism of Ion Selectivity in Nanopores.Molecules (Basel, Switzerland) · 2024Article
- Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.Accounts of chemical research · 2022Article
- Computational methods and theory for ion channel research.Advances in physics: X · 2022Article
- Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel.Journal of chemical theory and computation · 2021Article
- Equilibria between the KProtein & cell · 2019Article
- Direct knock-on of desolvated ions governs strict ion selectivity in KNature chemistry · 2018Article
- Structure, Dynamics, and Substrate Specificity of the OprO Porin from Pseudomonas aeruginosa.Biophysical journal · 2015Article
- Channel function reconstitution and re-animation: a single-channel strategy in the postcrystal age.The Journal of physiology · 2015Review
- Alchembed: A Computational Method for Incorporating Multiple Proteins into Complex Lipid Geometries.Journal of chemical theory and computation · 2015Article
- Theoretical and simulation studies on voltage-gated sodium channels.Protein & cell · 2015Review
- Energetics of Multi-Ion Conduction Pathways in Potassium Ion Channels.Journal of chemical theory and computation · 2013Article
- Detailed Examination of a Single Conduction Event in a Potassium Channel.The journal of physical chemistry letters · 2013Article
- An entropic mechanism of generating selective ion binding in macromolecules.PLoS computational biology · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Nonselective conduction in a mutated NaK channel with three cation-binding sites.Biophysical journal · 2012Article
- On the selective ion binding hypothesis for potassium channels.Proceedings of the National Academy of Sciences of the United States of America · 2011Article
- Perspectives on: ion selectivity: design principles for K+ selectivity in membrane transport.The Journal of general physiology · 2011Article
- Selectivity sequences in a model calcium channel: role of electrostatic field strength.European biophysics journal : EBJ · 2011Article
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Authors and funding
3 authors.
Funding
Abstract
How K(+) channels are able to conduct certain cations yet not others remains an important but unresolved question. The recent elucidation of the structure of NaK, an ion channel that conducts both Na(+) and K(+) ions, offers an opportunity to test the various hypotheses that have been put forward to explain the selectivity of K(+) ion channels. We test the snug-fit, field-strength, and over-coordination hypotheses by comparing their predictions to the results of classical molecular dynamics simulations of the K(+) selective channel KcsA and the less selective channel NaK embedded in lipid bilayers. Our results are incompatible with the so-called strong variant of the snug-fit hypothesis but are consistent with the over-coordination hypothesis and neither confirm nor refute the field-strength hypothesis. We also find that the ions and waters in the NaK selectivity filter unexpectedly move to a new conformation in seven K(+) simulations: the two K(+) ions rapidly move from site S4 to S2 and from the cavity to S4. At the same time, the selectivity filter narrows around sites S1 and S2 and the carbonyl oxygen atoms rotate 20 degrees -40 degrees inwards toward the ion. These motions diminish the large structural differences between the crystallographic structures of the selectivity filters of NaK and KcsA and appear to allow the binding of ions to S2 of NaK at physiological temperature.
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