Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations

Éva Csányi, D. Boda, Dirk Gillespie, T. Kristóf

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

A reduced model of a sodium channel is analyzed using Dynamic Monte Carlo simulations. These include the first simulations of ionic current under approximately physiological ionic conditions through a model sodium channel and an analysis of how mutations of the sodium channel's DEKA selectivity filter motif transform the channel from being Na + selective to being Ca 2 + selective. Even though the model of the pore, amino acids, and permeant ions is simplified, the model reproduces the fundamental properties of a sodium channel (e.g., 10 to 1 Na + over K + selectivity, Ca 2 + exclusion, and Ca 2 + selectivity after several point mutations). In this model pore, ions move through the pore one at a time by simple diffusion and Na + versus K + selectivity is due to both the larger K + not fitting well into the selectivity filter that contains amino acid terminal groups and K + moving more slowly (compared to Na +) when it is in the selectivity filter.

Original languageEnglish
Pages (from-to)592-600
Number of pages9
JournalBBA - Biomembranes
Volume1818
Issue number3
DOIs
Publication statusPublished - Mar 2012

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Sodium Channels
Ions
Amino Acids
Point Mutation
Mutation
Monte Carlo simulation

Keywords

  • Modeling
  • Permeation
  • Selectivity
  • Sodium channel

ASJC Scopus subject areas

  • Biochemistry
  • Cell Biology
  • Biophysics

Cite this

Current and selectivity in a model sodium channel under physiological conditions : Dynamic Monte Carlo simulations. / Csányi, Éva; Boda, D.; Gillespie, Dirk; Kristóf, T.

In: BBA - Biomembranes, Vol. 1818, No. 3, 03.2012, p. 592-600.

Research output: Contribution to journalArticle

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