Brownian dynamics study of ion transport in the vestibule of membrane channels

Biophysical Journal
S C LiS H Chung

Abstract

Brownian dynamics simulations have been carried out to study the transport of ions in a vestibular geometry, which offers a more realistic shape for membrane channels than cylindrical tubes. Specifically, we consider a torus-shaped channel, for which the analytical solution of Poisson's equation is possible. The system is composed of the toroidal channel, with length and radius of the constricted region of 80 A and 4 A, respectively, and two reservoirs containing 50 sodium ions and 50 chloride ions. The positions of each of these ions executing Brownian motion under the influence of a stochastic force and a systematic electric force are determined at discrete time steps of 50 fs for up to 2.5 ns. All of the systematic forces acting on an ion due to the other ions, an external electric field, fixed charges in the channel protein, and the image charges induced at the water-protein boundary are explicitly included in the calculations. We find that the repulsive dielectric force arising from the induced surface charges plays a dominant role in channel dynamics. It expels an ion from the vestibule when it is deliberately put in it. Even in the presence of an applied electric potential of 100 mV, an ion cannot overcome this repulsive...Continue Reading

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Citations

Nov 13, 2004·European Biophysics Journal : EBJ·Ben Corry, Shin-Ho Chung
Jul 3, 2008·European Biophysics Journal : EBJ·Taira VoraShin-Ho Chung
May 26, 2009·European Biophysics Journal : EBJ·Chen Song, Ben Corry
Aug 4, 2004·Progress in Biophysics and Molecular Biology·Angelo KeramidasPeter H Barry
Jul 24, 1998·Biophysical Journal·S H ChungS Kuyucak
Aug 2, 2003·Bioelectrochemistry·László OrosziAndrás Dér
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Jun 1, 2002·Journal of Biological Physics·Serdar Kuyucak, Shin-Ho Chung
Mar 22, 2003·Proceedings of the National Academy of Sciences of the United States of America·Megan O'MaraShin-Ho Chung
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Nov 30, 1999·The Journal of General Physiology·B CorryS H Chung
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