ArticleBiochimica et biophysica acta2009
Protein structure and ionic selectivity in calcium channels: selectivity filter size, not shape, matters.
Article in Biochimica et biophysica acta, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 51 citations in OpenAlex.
- Bound CaFrontiers in physiology · 2023Article
- Dominant clade-featured SARS-CoV-2 co-occurring mutations reveal plausible epistasis: An in silico based hypothetical model.Journal of medical virology · 2022Article
- Structural Changes beyond the EF-Hand Contribute to Apparent Calcium Binding Affinities: Insights from Parvalbumins.The journal of physical chemistry. B · 2021Article
- Molecular Choreography and Structure of CaMembranes · 2020Review
- Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models.Entropy (Basel, Switzerland) · 2020Article
- Critical parameters maintaining authentic CRAC channel hallmarks.European biophysics journal : EBJ · 2019Review
- Understanding Ion Binding Affinity and Selectivity in β-Parvalbumin Using Molecular Dynamics and Mean Spherical Approximation Theory.The journal of physical chemistry. B · 2016Article
- Divergence of Ca(2+) selectivity and equilibrium Ca(2+) blockade in a Ca(2+) release-activated Ca(2+) channel.The Journal of general physiology · 2014Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations.Biochimica et biophysica acta · 2012Article
- Selectivity sequences in a model calcium channel: role of electrostatic field strength.European biophysics journal : EBJ · 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
- Simulations of calcium channel block by trivalent cations: Gd(3+) competes with permeant ions for the selectivity filter.Biochimica et biophysica acta · 2010Article
- Sieving experiments and pore diameter: it's not a simple relationship.European biophysics journal : EBJ · 2010Article
Corrections and comments
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Authors and funding
6 authors at 4 institutions in 2 countries.
Funding
Abstract
Calcium channels have highly charged selectivity filters (4 COO(-) groups) that attract cations in to balance this charge and minimize free energy, forcing the cations (Na(+) and Ca(2+)) to compete for space in the filter. A reduced model was developed to better understand the mechanism of ion selectivity in calcium channels. The charge/space competition (CSC) mechanism implies that Ca(2+) is more efficient in balancing the charge of the filter because it provides twice the charge as Na(+) while occupying the same space. The CSC mechanism further implies that the main determinant of Ca(2+) versus Na(+) selectivity is the density of charged particles in the selectivity filter, i.e., the volume of the filter (after fixing the number of charged groups in the filter). In this paper we test this hypothesis by changing filter length and/or radius (shape) of the cylindrical selectivity filter of our reduced model. We show that varying volume and shape together has substantially stronger effects than varying shape alone with volume fixed. Our simulations show the importance of depletion zones of ions in determining channel conductance calculated with the integrated Nernst-Planck equation. We show that confining the protein side chains with soft or hard walls does not influence selectivity.
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