Voltage-dependent hydration and conduction properties of the hydrophobic pore of the mechanosensitive channel of small conductance

Biophysical Journal

Volumn 90, Issue 10, 2006, Pages 3555-3569

  Spronk, Steven A ^a   Elmore, Donald E ^b   Dougherty, Dennis A ^a  

^a California Institute of Technology   (United States)

^b WELLESLEY COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ION; ION CHANNEL; WATER;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ELECTRIC FIELD; HYDRATION; HYDROPHOBICITY; ION CONDUCTANCE; MOLECULAR DYNAMICS; NANOTECHNOLOGY; OCCLUSION; SIMULATION;

EID: 33646200263     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1529/biophysj.105.080432     Document Type: Article

References (44)

1. Hille, B. 2001. Ion Channels of Excitable Membranes, 3rd ed. Sinauer Associates, Sunderland, MA.
2. Zhou, Y., J. H. Morais-Cabral, A. Kaufman, and R. MacKinnon. 2001. Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 Å resolution. Nature. 414:43-48.
3. Betanzos, M., C. S. Chiang, H. R. Guy, and S. Sukharev. 2002. A large iris-like expansion of a mechanosensitive channel protein induced by membrane tension. Nat. Struct. Biol. 9:704-710.
4. Sukharev, S. 2002. Purification of the small mechanosensitive channel of Escherichia coli (MscS): the subunit structure, conduction, and gating characteristics in liposomes. Biophys. J. 83:290-298.
5. Song, L., M. R. Hobaugh, C. Shustak, S. Cheley, H. Bayley, and J. E. Gouaux. 1996. Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore. Science. 274:1859-1866.
6. Evans, R. 1990. Fluids adsorbed in narrow pores - phase-equilibria and structure. J. Phys. Condens. Matter. 2:8989-9007.
7. Beckstein, O., P. C. Biggin, and M. S. P. Sansom. 2001. A hydrophobic gating mechanism for nanopores. J. Phys. Chem. B. 105:12902-12905.
8. Beckstein, O., and M. S. Sansom. 2003. Liquid-vapor oscillations of water in hydrophobic nanopores. Proc. Natl. Acad. Sci. USA. 100:7063-7068.
9. Beckstein, O., and M. S. Sansom. 2004. The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological pores. Phys. Biol. 1:42-52.
10. Corry, B. 2006. An energy-efficient gating mechanism in the acetylcholine receptor channel suggested by molecular and Brownian dynamics. Biophys. J. 90:799-810.
11. Wan, R., J. Li, H. Lu, and H. Fang. 2005. Controllable water channel gating of nanometer dimensions. J. Am. Chem. Soc. 127:7166-7170.
12. Hummer, G., J. C. Rasaiah, and J. P. Noworyta. 2001. Water conduction through the hydrophobic channel of a carbon nanotube. Nature. 414:188-190.
13. Levina, N., S. Totemeyer, N. R. Stokes, P. Louis, M. A. Jones, and I. R.Booth. 1999. Protection of Escherichia coli cells against extreme turgor by activation of MscS and MscL mechanosensitive channels: identification of genes required for MscS activity. EMBO J. 18:1730-1737.
14. Martinac, B., M. Buechner, A. H. Delcour, J. Adler, and C. Kung. 1987. Pressure-sensitive ion channel in Escherichia coli. Proc. Natl. Acad. Sci. USA. 84:2297-2301.
15. Bass, R. B., P. Strop, M. Barclay, and D. C. Rees. 2002. Crystal structure of Escherichia coli MscS, a voltage-modulated and mechanosensitive channel. Science. 298:1582-1587.
16. Elmore, D. E., and D. A. Dougherty. 2001. Molecular dynamics simulations of wild-type and mutant forms of the Mycobacterium tuberculosis MscL channel. Biophys. J. 81:1345-1359.
17. Elmore, D. E., and D. A. Dougherty. 2003. Investigating lipid composition effects on the mechanosensitive channel of large conductance (MscL) using molecular dynamics simulations. Biophys. J. 85:1512-1524.
18. Anishkin, A., and S. Sukharev. 2004. Water dynamics and dewetting transitions in the small mechanosensitive channel MscS. Biophys. J. 86:2883-2895.
19. Sotomayor, M., and K. Schulten. 2004. Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS. Biophys. J. 87:3050-3065.
20. Faraldo-Gomez, J. D., G. R. Smith, and M. S. Sansom. 2002. Setting up and optimization of membrane protein simulations. Eur. Biophys. J. 31:217-227.
21. Essmann, U., L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen. 1995. A smooth particle mesh Ewald method. J. Chem. Phys. 103:8577-8593.
22. Berendsen, H. J. C., D. van der Spoel, and R. van Drunen. 1995. GROMACS: a message-passing parallel molecular dynamics implementation. Comput. Phys. Commun. 91:43-56.
23. Lindahl, E., B. Hess, and D. van der Spoel. 2001. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J. Mol. Model. 7:306-317.
24. Berger, O., O. Edholm, and F. Jahnig. 1997. Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature. Biophys. J. 72:2002-2013.
25. Berendsen, H. J. C., J. P. M. Postma, W. F. Vangunsteren, A. Dinola, and J. R. Haak. 1984. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81:3684-3690.
26. Aksimentiev, A., and K. Schulten. 2005. Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map. Biophys. J. 88:3745-3761.
27. Smart, O. S., J. Breed, G. R. Smith, and M. S. Sansom. 1997. A novel method for structure-based prediction of ion channel conductance properties. Biophys. J. 72:1109-1126.
28. Humphrey, W., A. Dalke, and K. Schulten. 1996. VMD: visual molecular dynamics. J. Mol. Graph. 14:33-38.
29. Chanda, B., O. K. Asamoah, R. Blunck, B. Roux, and F. Bezanilla. 2005. Gating charge displacement in voltage-gated ion channels involves limited transmembrane movement. Nature. 436:852-856.
30. Cuello, L. G., D. M. Cortes, and E. Perozo. 2004. Molecular architecture of the KvAP voltage-dependent K+ channel in a lipid bilayer. Science. 306:491-495.
31. Long, S. B., E. B. Campbell, and R. MacKinnon. 2005. Crystal structure of a mammalian voltage-dependent Shaker family K+ channel. Science. 309:897-903.
32. Long, S. B., E. B. Campbell, and R. MacKinnon. 2005. Voltage sensor of Kv1.2: structural basis of electromechanical coupling. Science. 309:903-908.
33. MacKinnon, R. 2004. Voltage sensor meets lipid membrane. Science. 306:1304-1305.
34. Posson, D. J., P. H. Ge, C. Miller, F. Bezanilla, and P. R. Selvin. 2005. Small vertical movement of a K+ channel voltage sensor measured with luminescence energy transfer. Nature. 436:848-851.
35. Kashket, E. R. 1985. The proton motive force in bacteria: a critical assessment of methods. Annu. Rev. Microbiol. 39:219-242.
36. Akitake, B., A. Anishkin, and S. Sukharev. 2005. The "dashpot" mechanism of stretch-dependent gating in MscS. J. Gen. Physiol. 125:143-154.
37. Bostick, D., and M. L. Berkowitz. 2003. The implementation of slab geometry for membrane-channel molecular dynamics simulations. Biophys. J. 85:97-107.
38. Crozier, P. S., D. Henderson, R. L. Rowley, and D. D. Busath. 2001. Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics. Biophys. J. 81:3077-3089.
39. Chandrasekhar, J., D. C. Spellmeyer, and W. L. Jorgensen. 1984. Energy component analysis for dilute aqueous-solutions of Li+, Na+, F-, And Cl- ions. J. Am. Chem. Soc. 106:903-910.
40. Lu, J., and M. E. Green. 1997. Simulation of water in a pore with charges: application to a gating mechanism for ion channels. Prog. Colloid Polym. Sci. 103:121-129.
41. Harvey, S. C. 1989. Treatment of electrostatic effects in macromolecular modeling. Proteins. 5:78-92.
42. Gullingsrud, J., D. Kosztin, and K. Schulten. 2001. Structural determinants of MscL gating studied by molecular dynamics simulations. Biophys. J. 80:2074-2081.
43. Tieleman, D. P., H. J. Berendsen, and M. S. Sansom. 2001. Voltagedependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophys. J. 80:331-346.
44. Ramakrishnan, V., D. Henderson, and D. D. Busath. 2004. Applied field nonequilibrium molecular dynamics simulations of ion exit from a beta-barrel model of the L-type calcium channel. Biochim. Biophys. Acta. 1664:1-8.