A model of sodium channels

Taira Vora; Ben Corry; Shin Ho Chung

doi:10.1016/j.bbamem.2004.11.011

A model of sodium channels

Taira Vora, Ben Corry, Shin Ho Chung^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

We have explored the permeation and blockage of ions in sodium channels, relating the channel structure to function using electrostatic profiles and Brownian dynamics simulations. The model used resembles the KcsA potassium channel with an added external vestibule and a shorter selectivity filter. The electrostatic energy landscape seen by permeating ions is determined by solving Poisson's equation. The two charged amino acid rings of Glu-Glu-Asp-Asp (EEDD) and Asp-Glu-Lys-Ala (DEKA) around the selectivity filter region are seen to play a crucial role in making the channel sodium selective, and strongly binding calcium ions such that they block the channel. Our model closely reproduces a range of experimental data including the current-voltage curves, current-concentration curves and blockage of monovalent ions by divalent ions.

Original language	English
Pages (from-to)	106-116
Number of pages	11
Journal	Biochimica et Biophysica Acta - Biomembranes
Volume	1668
Issue number	1
DOIs	https://doi.org/10.1016/j.bbamem.2004.11.011
Publication status	Published - 1 Feb 2005

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title = "A model of sodium channels",

abstract = "We have explored the permeation and blockage of ions in sodium channels, relating the channel structure to function using electrostatic profiles and Brownian dynamics simulations. The model used resembles the KcsA potassium channel with an added external vestibule and a shorter selectivity filter. The electrostatic energy landscape seen by permeating ions is determined by solving Poisson's equation. The two charged amino acid rings of Glu-Glu-Asp-Asp (EEDD) and Asp-Glu-Lys-Ala (DEKA) around the selectivity filter region are seen to play a crucial role in making the channel sodium selective, and strongly binding calcium ions such that they block the channel. Our model closely reproduces a range of experimental data including the current-voltage curves, current-concentration curves and blockage of monovalent ions by divalent ions.",

keywords = "Blockage, Brownian dynamics, Electrostatics, Ion channel, Permeation, Selectivity, Sodium channel",

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AU - Corry, Ben

AU - Chung, Shin Ho

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AB - We have explored the permeation and blockage of ions in sodium channels, relating the channel structure to function using electrostatic profiles and Brownian dynamics simulations. The model used resembles the KcsA potassium channel with an added external vestibule and a shorter selectivity filter. The electrostatic energy landscape seen by permeating ions is determined by solving Poisson's equation. The two charged amino acid rings of Glu-Glu-Asp-Asp (EEDD) and Asp-Glu-Lys-Ala (DEKA) around the selectivity filter region are seen to play a crucial role in making the channel sodium selective, and strongly binding calcium ions such that they block the channel. Our model closely reproduces a range of experimental data including the current-voltage curves, current-concentration curves and blockage of monovalent ions by divalent ions.

KW - Blockage

KW - Brownian dynamics

KW - Electrostatics

KW - Ion channel

KW - Permeation

KW - Selectivity

KW - Sodium channel

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A model of sodium channels

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