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Ion Conduction through the hERG Potassium Channel

Author

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  • Luisa Ceccarini
  • Matteo Masetti
  • Andrea Cavalli
  • Maurizio Recanatini

Abstract

The inward rectifier voltage-gated potassium channel hERG is of primary importance for the regulation of the membrane potential of cardiomyocytes. Unlike most voltage-gated K+-channels, hERG shows a low elementary conductance at physiological voltage and potassium concentration. To investigate the molecular features underlying this unusual behavior, we simulated the ion conduction through the selectivity filter at a fully atomistic level by means of molecular dynamics-based methods, using a homology-derived model. According to our calculations, permeation of potassium ions can occur along two pathways, one involving site vacancies inside the filter (showing an energy barrier of about 6 kcal mol−1), and the other characterized by the presence of a knock-on intermediate (about 8 kcal mol−1). These barriers are indeed in accordance with a low conductance behavior, and can be explained in terms of a series of distinctive structural features displayed by the hERG ion permeation pathway.

Suggested Citation

  • Luisa Ceccarini & Matteo Masetti & Andrea Cavalli & Maurizio Recanatini, 2012. "Ion Conduction through the hERG Potassium Channel," PLOS ONE, Public Library of Science, vol. 7(11), pages 1-11, November.
    • Handle: RePEc:plo:pone00:0049017
    DOI: 10.1371/journal.pone.0049017
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