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Biophys J, January 2001, p. 195-214, Vol. 80, No. 1

Mechanisms of Permeation and Selectivity in Calcium Channels

Ben Corry,*dagger Toby W. Allen,* Serdar Kuyucak,dagger and Shin-Ho Chung*

 *Protein Dynamics Unit, Department of Chemistry, and  dagger Department of Theoretical Physics, Research School of Physical Sciences, Australian National University, Canberra, Australian Capital Territory 0200, Australia

The mechanisms underlying ion transport and selectivity in calcium channels are examined using electrostatic calculations and Brownian dynamics simulations. We model the channel as a rigid structure with fixed charges in the walls, representing glutamate residues thought to be responsible for ion selectivity. Potential energy profiles obtained from multi-ion electrostatic calculations provide insights into ion permeation and many other observed features of L-type calcium channels. These qualitative explanations are confirmed by the results of Brownian dynamics simulations, which closely reproduce several experimental observations. These include the current-voltage curves, current-concentration relationship, block of monovalent currents by divalent ions, the anomalous mole fraction effect between sodium and calcium ions, attenuation of calcium current by external sodium ions, and the effects of mutating glutamate residues in the amino acid sequence.

Biophys J, January 2001, p. 195-214, Vol. 80, No. 1
© 2001 by the Biophysical Society   0006-3495/01/01/195/20  $2.00


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