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Acetylcholine receptor pore permeability studied by molecular dynamics simulation

  • Cell Biophysics
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Abstract

A dynamic model of the closed-state pore of an acetylcholine receptor (five M2 α-helices stabilized with a (CH2)105 ring) is used to examine the migration of uncharged and charged probe particles equivalent to a hexahydrated sodium ion (van der Waals diameter 7.27 Å) propelled by varied external force along the channel axis. Ion movement through the pore is hindered by steric constraints and electrostatic interactions. The van der Waals gate is formed by helix residues 13′ (A-Val255, B-Val261, C-Val269, D-Val255, and E-Ile264), whereas the negatively charged residues in the upper part of the channel are important for ion selectivity.

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References

  1. K. V. Shaitan, E. V. Tourleigh, D. N. Golik, et al. Ross. Khim. Zh. 1, 53 (2006).

    Google Scholar 

  2. J. P. Changeux, P. Benoit, A. Bessis, et al., Adv. Second Messenger Phosphoprotein Res. 24, 15 (1990).

    Google Scholar 

  3. E. A. Barnard, Trends Biochem. Sci. 17(10), 368 (1992).

    Article  Google Scholar 

  4. H. Betz, Neuron 5(4), 383 (1990).

    Article  Google Scholar 

  5. N. Unwin, Novartis. Found. Symp. 245, 5 (2002).

    Google Scholar 

  6. J. Changeux and S. J. Edelstein, Curr. Opin. Neurobiol. 11(3), 369 (2001).

    Article  Google Scholar 

  7. S. J. Edelstein and J. P. Changeux, Adv. Protein Chem. 51, 121 (1998).

    Article  Google Scholar 

  8. N. Unwin, J. Mol. Biol. 229(4), 1101 (1993).

    Article  Google Scholar 

  9. A. Miyazawa, Y. Fujiyoshi, M. Stowell, and N. Unwin, J. Mol. Biol. 288(4), 765 (1999).

    Article  Google Scholar 

  10. N. Unwin, J. Mol. Biol. 346(4), 967 (2005).

    Article  Google Scholar 

  11. A. Miyazawa, Y. Fujiyoshi, and N. Unwin, Nature 423(6943), 949 (2003).

    Article  ADS  Google Scholar 

  12. N. Unwin, Nature 373(6509), 37 (1995).

    Article  ADS  Google Scholar 

  13. N. Unwin, FEBS Lett. 555(1), 91 (2003).

    Article  Google Scholar 

  14. S. Kim, A. K. Chamberlain, and J. U. Bowie, Biophys. J. 87(2), 792 (2004).

    Article  Google Scholar 

  15. P. C. Kearney, H. Zhang, W. Zhong, et al., Neuron 17(6), 1221 (1996).

    Article  Google Scholar 

  16. J. H. Schwartz, in Principles of Neural Science, Eds. by E. R. Kandel, J. H. Schwartz, and T. M. Jessell. (McGraw Hill, 2000), pp. 280–298.

  17. A. S. Lemak and N. K. Balabaev, J. Computational Chem. 17, 1685 (1996).

    Article  Google Scholar 

  18. A. S. Lemak and N. K. Balabaev, Mol. Simulation 15, 223 (1995).

    Article  Google Scholar 

  19. E. V. Tourleigh, K. V. Shaitan, and N. K. Balabaev, Biol. Membrany 22, 491 (2005).

    Google Scholar 

  20. E. V. Tourleigh, K. V. Shaitan, and N. K. Balabaev, Biofizika 50, 1042 (2005).

    Google Scholar 

  21. A. Hung, K. Tai, and M. S. Sansom, Biophys. J. 88(5), 3321 (2005).

    Article  Google Scholar 

  22. K. B. Tereshkina, Candidate’s Dissertation in Biology (MGU, Moscow, 2006).

  23. C. Adcock, G. R. Smith, and M. S. Sansom, Biophys. J. 75(3), 1211 (1998).

    Article  Google Scholar 

  24. M. S. Sansom, C. Adcock, and G. R. Smith, J. Struct. Biol. 121(2), 246 (1998).

    Article  Google Scholar 

  25. A. Li, Abstr. Int. Conf. “Lomonosov 2006” (MGU, Moscow, 2006), p. 56.

    Google Scholar 

  26. A. Li, K. B. Tereshkina, and K. V. Shaitan, Issled. Ross. (in press).

  27. P. Charnet, C. Labarca, R. J. Leonard, et al., Neuron 4(1), 87 (1990).

    Article  Google Scholar 

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Authors and Affiliations

  1. Moscow State University, Moscow, 119992, Russia

    K. V. Shaitan, A. Li, K. B. Tereshkina & M. P. Kirpichnikov

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  1. K. V. Shaitan
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  2. A. Li
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  3. K. B. Tereshkina
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  4. M. P. Kirpichnikov
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Correspondence to K. V. Shaitan.

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Original Russian Text © K.V. Shaitan, A. Li, K.B. Tereshkina, M.P. Kirpichnikov, 2007, published in Biofizika, 2007, Vol. 52, No. 3, pp. 469–475.

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Shaitan, K.V., Li, A., Tereshkina, K.B. et al. Acetylcholine receptor pore permeability studied by molecular dynamics simulation. BIOPHYSICS 52, 301–306 (2007). https://doi.org/10.1134/S0006350907030086

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  • DOI: https://doi.org/10.1134/S0006350907030086

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