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Biological Membrane Ion Channels pp 545–567Cite as

Molecular Dynamics Simulation Approaches to K Channels

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Part of the book series: Biological And Medical Physics Biomedical Engineering ((BIOMEDICAL))

Abstract

Ion channels are proteins that form pores of nanoscopic dimensions in cell membranes. As a consequence of advance in protein crystallography we now know the three-dimensional structures of a number of ion channels. However, X-ray diffraction techniques yield an essentially static (time- and space-averaged) structure of an ion channel, in an environment often somewhat distantly related to that which the protein experiences when in a cell membrane. Thus, additional techniques are required to fully understand the relationship between channel structure and function. Potassium (K) channels (Yellen, 2002) provide an opportunity to explore the relationship between membrane protein structure, dynamics, and function. Furthermore, K channels are of considerable physiological and biomedical interest. They regulate K+ ion flux across cell membranes. K channel regulation is accomplished by a conformational change that allows the protein to switch between two alternative (closed vs. open) conformations, a process known as gating. Gating is an inherently dynamic process that cannot be fully characterized by static structures alone.

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Authors and Affiliations

  1. CASPUR Consorzio Interuniversitario per le Applicazioni, del Supercalcolo per Universita’ e Ricerca, Via dei Tizii, 6b., Roma, 00185, Italy

    Alessandro Grottesi

  2. BioMolecular Structure Group The School of Pharmacy, University of London, Bloomsbury, London, WC1N 1AX, England

    Shozeb Haider

  3. Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, England

    Mark S. P. Sansom

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  1. Alessandro Grottesi
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  2. Shozeb Haider
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  3. Mark S. P. Sansom
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Editors and Affiliations

  1. Res. School of Biological Sciences, Australian National University, Canberra, ACT 0200, Australia

    Shin-Ho Chung

  2. Weill Medical College Dept. Physiology, Cornell University, 1300 York Avenue, New York, NY, 10021, USA

    Olaf S. Andersen

  3. Dept. of Elect. & Comp. Engi., University of British Columbia, MacLeod Bulding, Vancouver, BC, Canada

    Vikram Krishnamurthy

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Grottesi, A., Haider, S., Sansom, M.S. (2007). Molecular Dynamics Simulation Approaches to K Channels. In: Chung, SH., Andersen, O.S., Krishnamurthy, V. (eds) Biological Membrane Ion Channels. Biological And Medical Physics Biomedical Engineering. Springer, New York, NY. https://doi.org/10.1007/0-387-68919-2_16

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