ArticleBiophysical journal2007
Steric selectivity in Na channels arising from protein polarization and mobile side chains.
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 36 papers.
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Who cites it
36 citing papers in PubMed.
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- Setting Boundaries for Statistical Mechanics.Molecules (Basel, Switzerland) · 2022Review
- Maxwell Equations without a Polarization Field, Using a Paradigm from Biophysics.Entropy (Basel, Switzerland) · 2021Article
- Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models.Entropy (Basel, Switzerland) · 2020Article
- Effects of Diffusion Coefficients and Permanent Charge on Reversal Potentials in Ionic Channels.Entropy (Basel, Switzerland) · 2020Article
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- Selecting ions by size in a calcium channel: the ryanodine receptor case study.Biophysical journal · 2014Article
- Interacting ions in biophysics: real is not ideal.Biophysical journal · 2013Review
- Ionizable side chains at catalytic active sites of enzymes.European biophysics journal : EBJ · 2012Article
- Designing biomimetic pores based on carbon nanotubes.Proceedings of the National Academy of Sciences of the United States of America · 2012Article
- Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations.Biochimica et biophysica acta · 2012Article
- Article
- Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates.Biophysical journal · 2011Article
- Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method.The Journal of chemical physics · 2011Article
- Multiple Scales in the Simulation of Ion Channels and Proteins.The journal of physical chemistry. C, Nanomaterials and interfaces · 2010Article
- Sieving experiments and pore diameter: it's not a simple relationship.European biophysics journal : EBJ · 2010Article
- Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids.The Journal of chemical physics · 2010Article
- Simulations of anion transport through OprP reveal the molecular basis for high affinity and selectivity for phosphate.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
- Protein structure and ionic selectivity in calcium channels: selectivity filter size, not shape, matters.Biochimica et biophysica acta · 2009Article
- Reinterpreting the anomalous mole fraction effect: the ryanodine receptor case study.Biophysical journal · 2009Article
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6 authors.
Funding
Abstract
Monte Carlo simulations of equilibrium selectivity of Na channels with a DEKA locus are performed over a range of radius R and protein dielectric coefficient epsilon(p). Selectivity arises from the balance of electrostatic forces and steric repulsion by excluded volume of ions and side chains of the channel protein in the highly concentrated and charged (approximately 30 M) selectivity filter resembling an ionic liquid. Ions and structural side chains are described as mobile charged hard spheres that assume positions of minimal free energy. Water is a dielectric continuum. Size selectivity (ratio of Na+ occupancy to K+ occupancy) and charge selectivity (Na+ to Ca2+) are computed in concentrations as low as 10(-5) M Ca2+. In general, small R reduces ion occupancy and favors Na+ over K+ because of steric repulsion. Small epsilon(p) increases occupancy and favors Na+ over Ca2+ because protein polarization amplifies the pore's net charge. Size selectivity depends on R and is independent of epsilon(p); charge selectivity depends on both R and epsilon(p). Thus, small R and epsilon(p) make an efficient Na channel that excludes K+ and Ca2+ while maximizing Na+ occupancy. Selectivity properties depend on interactions that cannot be described by qualitative or verbal models or by quantitative models with a fixed free energy landscape.
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