ArticleBiophysical journal2007
Tuning ion coordination architectures to enable selective partitioning.
Article in Biophysical journal, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 70 papers.
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Who cites it
70 citing papers in PubMed.
- The Role of Architectural Forces in Ion Selectivity.Advances in experimental medicine and biology · 2026Article
- QM Investigation of Rare Earth Ion Interactions with First Hydration Shell Waters and Protein-Based Coordination Models.The journal of physical chemistry. B · 2025Article
- The Molecular Mechanism of Ion Selectivity in Nanopores.Molecules (Basel, Switzerland) · 2024Article
- Alkali metal cations modulate the geometry of different binding sites in HCN4 selectivity filter for permeation or block.The Journal of general physiology · 2023Article
- Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.Accounts of chemical research · 2022Article
- Thermodynamics of ion binding and occupancy in potassium channels.Chemical science · 2021Article
- Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models.Entropy (Basel, Switzerland) · 2020Article
- Structure, function, and ion-binding properties of a KProceedings of the National Academy of Sciences of the United States of America · 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
- Determinants of cation transport selectivity: Equilibrium binding and transport kinetics.The Journal of general physiology · 2015Review
- Ion selectivity in the selectivity filters of acid-sensing ion channels.Scientific reports · 2015Article
- Selecting ions by size in a calcium channel: the ryanodine receptor case study.Biophysical journal · 2014Article
- K(+) and Na(+) conduction in selective and nonselective ion channels via molecular dynamics simulations.Biophysical journal · 2013Review
- Role of methyl-induced polarization in ion binding.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
- Interacting ions in biophysics: real is not ideal.Biophysical journal · 2013Review
- An entropic mechanism of generating selective ion binding in macromolecules.PLoS computational biology · 2013Article
- Ion binding sites and their representations by reduced models.The journal of physical chemistry. B · 2012Article
- Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential.Journal of chemical theory and computation · 2012Article
- Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations.Biochimica et biophysica acta · 2012Article
10 more citing papers are in PubMed but not listed here.
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2 authors.
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Abstract
K+ ions seemingly permeate K-channels rapidly because channel binding sites mimic coordination of K+ ions in water. Highly selective ion discrimination should occur when binding sites form rigid cavities that match K+, but not the smaller Na+, ion size or when binding sites are composed of specific chemical groups. Although conceptually attractive, these views cannot account for critical observations: 1), K+ hydration structures differ markedly from channel binding sites; 2), channel thermal fluctuations can obscure sub-Angström differences in ion sizes; and 3), chemically identical binding sites can exhibit diverse ion selectivities. Our quantum mechanical studies lead to a novel paradigm that reconciles these observations. We find that K-channels utilize a "phase-activated" mechanism where the local environment around the binding sites is tuned to sustain high coordination numbers (>6) around K+ ions, which otherwise are rarely observed in liquid water. When combined with the field strength of carbonyl ligands, such high coordinations create the electrical scenario necessary for rapid and selective K+ partitioning. Specific perturbations to the local binding site environment with respect to strongly selective K-channels result in altered K+/Na+ selectivities.
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