A gating mechanism proposed from a simulation of a human α7 nicotinic acetylcholine receptor

Proceedings of the National Academy of Sciences of the United States of America

Volumn 102, Issue 19, 2005, Pages 6813-6818

  Law, Richard J ^a,b   Henchman, Richard H ^a,c   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BUNGAROTOXIN RECEPTOR; ION CHANNEL; NICOTINIC RECEPTOR; UNCLASSIFIED DRUG;

ALPHA HELIX; ARTICLE; BETA SHEET; CHANNEL GATING; CRYSTAL STRUCTURE; DESENSITIZATION; HUMAN; LIGAND BINDING; LYMNAEA; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN DOMAIN; SIMULATION; TORPEDO; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CARBON; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYSTEINE; HUMANS; KINETICS; LIGANDS; LIPID BILAYERS; MODELS, MOLECULAR; PHOSPHATIDYLCHOLINES; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; PROTEINS; RECEPTORS, NICOTINIC; SOFTWARE;

DISCOPYGE OMMATA; STATOR;

EID: 18744363916     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0407739102     Document Type: Article

References (85)

1. Karlin, A. (2002) Nat. Rev. Neurobiol. 3, 102-114.
2. Hogg, R. & Bertrand, D. (2003) Drug News Perspect. 16, 261-266.
3. Freedman, R. C. H., Myles-Worsley, M., Orr-Urtreger, A., Olincy, A., Davis, A., Polymeropoulos, M., Holik, J., Hopkins, J., Hoff, M., Rosenthal, J., et al. (1997) Proc. Natl. Acad. Sci. USA 94, 987-992.
4. Francis, P., Palmer, A., Snape, M. & Wilcok, G. (1999) J. Neurol. Neurosurg. Psychiatric Res. 66, 137-147.
5. Fodale, V., Practico, C. & Santamaria, L. (2004) Parkinsonism Related Dis. 10, 189-190.
6. Lindstrom, J. (2003) Ann. N.Y. Acad. Sci. 998, 41-52.
7. Wang, H. Y., Ochani, M., Amella, C. A., Tanovic, M., Susaria, S., Li, J. H., Wang, H., Yang, H., Ulloa, L., Al-Abed, Y., et al. (2003) Nature 421, 384-388.
8. Jones, S. & Yakel, J. (1997) J. Physiol. (London) 504, 603-610.
9. Narahashi, T., Aistrup, G., Marszalec, W. & Nagata, K. (1999) Neurochem. Int. 35, 131-141.
10. Francis, M. M., Cheng, E. Y., Weiland, G. A. & Oswald, R. E. (2001) Am. Chem. Soc. Pharmacol. Exp. Ther. 60, 71-79.
11. Arias, H. R. (1999) Neurosci. Biohehav. Rev. 23, 817-843.
12. Novere, N. & Changeux, J. (1999) Nucleic Acid Res. 27, 340-342.
13. Lloyd, G. & Williams, M. (2000) J. Pharmacol. Exp. Ther. 292, 461-467.
14. Changeux, J., Bertrand, D., Corringer, P., Dehaene, S., Edelstein, S., Lena, C., Novere, N., Marbubio, L., Picciotto, M. & Zoli, M. (1998) Brain Res. Rev. 26, 198-216.
15. Corringer, P., Le Novere, N. & Changeux, J. (2000) Annu. Rev. Pharmacol. 40, 431-458.
16. Corringer, P.-J., Bertrand, S., Bohler, S., Edelstein, S. J., Changeux, J.-P. & Bertrand, D. (1998) J. Neurosci. 18, 648-657.
17. Blount, P. & Merlie, J. P. (1989) Neuron 3, 349-357.
18. Unwin, N. (2000) Philos. Trans. R. Soc. London B 355, 1813-1829.
19. Miyazawa, A., Fujiyoshi, Y. & Unwin, N. (2003) Nature 423, 949-955.
20. Brejc, K., van Dijk, W. J. & Klaassen, R. (2001) Nature 411, 269-276.
21. Sine, S. M. (2002) J. Neurobiol. 53, 431-446.
22. Smit, A., Syed, N., Schaap D., Van Minnen, J., Klumperman, J.. Kits, K. S., Lodder, H., Van der Schors, R., Van Elk, R., Sorgedrager, B., et al. (2001) Nature 411, 261-268.
23. Celie, P., Van Rossum-Fikkert, S. E., Van Dijk, W., Brejc, K., Smit, A. B. & Sixma, T. (2004) Neuron 41, 907-914.
24. Doucette-Stamm, L. M., Donnelly-Roberts, D., Wang, M. T., Lee, J., Tian, J. & Giordano, T. (1993) Drug Dev. Res. 30, 252-256.
25. Dajas-Bailador, F. & Wonnacott, S. (2004) Trends Pharmacol. Sci. 25, 317-324.
26. Hogg, R., Raggenbass, M. & Bertrand, D. (2003) Rev. Physiol. Biochem. Pharmacol. 147, 1-46.
27. Bernèche, S. & Roux, B. (2001) Nature 414, 73-77.
28. Shrivastava, I. H. & Sansom, M. S. P. (2000) Biophys. J. 78, 557-570.
29. Law, R. J. & Sansom, M. S. P. (2004) Eur. Biophys. J. 33, 477-489.
30. de Groot, B. & Grubmuller, H. (2001) Science 294, 2353-2356.
31. Jensen, M., Park, S., Tajkorshid, E. & Schulten, K. (2002) Proc. Natl. Acad. Sci. USA 99, 6731-6736.
32. Henchman, R., Wang, H., Sine, S. M., Taylor, P. & McCammon, J. (2003) Biophys. J. 85, 1-12.
33. Henchman, R. H., Wang, H., Sine, S. M., Taylor, P. & McCammon, J. A. (2005) Biophys. J. 88, 2564-2576.
34. Rosenbusch, J. (2001) J. Struct. Biol. 136, 144-157.
35. White, S. (2004) Protein Sci. 13, 1948-1949.
36. Sali, A. & Blundell, T. L. (1993) J. Mol. Biol. 234, 779-815.
37. Laskowski, R. A., Macarthur, M. W., Moss, D. S. & Thornton, J. M. (1993) J. Appl. Crystallogr. 26, 283-291.
38. Rodriguez, R., Chinea, G., Lopez, N., Pons, T. & Vriend, G. (1998) Comput. Appl. Biosci. 14, 523-528.
39. Adcock, C., Smith, G. R. & Sansom, M. S. P. (1998) Biophys. J. 75, 1211-1222.
40. Davis, M. E., Madura, J. D., Luty, B. A. & McCammon, J. A. (1991) Comput. Phys. Comm. 62, L87-197.
41. Nicken, J. & Mccammon, J. (2003) Prolein Sci. 12, 1894-1901.
42. Humphrey, W., Dalke, A. & Schulten, K. (1996) J. Mol. Graphics 14, 33-38.
43. Grubmuller, H., Heymann, B. & Tavan, P. (1996) Science 271, 997-999.
44. Kalé, L., Skeel, R., Bhandarkar, M., Brunner, R., Gursoy, A., Krawetz, N., Phillips, J., Shinozaki, A., Varadarajan, K. & Schulten, K. (1999) J. Comp. Phys. 151, 283-312.
45. Merritt, E. A. & Bacon, J. (1997) Methods Enzymol 277, 505-524.
46. MacKerrell, A. D., Bashford, D., Bellott, M., Dunbrack, R. L., Evanseck, J. D., Field, M. J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. (1998) J. Phys. Chem. B 102, 3586-3616.
47. Ryckaert, J. P., Ciccotti, G. & Berendsen, H. J. C. (1977) J. Comput. Phys. 23, 327-341.
48. Mongan, J. & McCammon, J. A. (2004) J. Comp. Chem. 25, 2038-2048.
49. Grutter, T. & Changeux, J. (2001) Trends Biochem. Sci. 26, 459-463.
50. Gao, F., Bren, N., Burghardt, T., Hansen, S., Henchman, R., Taylor, P., Mccammon, J. & Sine, S. M. (2004) Neuron
51. Gao, F., Bren, N., Burghardt, T., Hansen, S., Henchman, R., Taylor, P., Mccammon, J. & Sine, S. M. (2005) J. Biol. Chem. 280, 8443-8451.
52. Unwin, N., Miyazawa, A., Li, J. & Fujiyoshi, Y. (2002) J. Mol. Biol. 319, 1165-1176.
53. Lester, H., Dibas, M., Dahan, D., Leite, J. & Dougherty, D. (2004) Trends Neurosci. 27, 329-336.
54. Unwin, N. (2003) FEBS Lett. 555, 91-95.
55. Cymes, G., Grosman, C. & Auerbach, A. (2002) Biochemistry 41, 5548-5555.
56. Law, R. J., Tieleman, D. P. & Sansom, M. S. P. (2003) Biophys. J. 84, 14-27.
57. Unwin, N. (1998) J. Struct. Biol. 121, 181-190.
58. Tikhonov, D. B. & Zhorov, B. S. (1998) Biophys. J. 74, 242-255.
59. Amadei, A., Linssen, A. B. M. & Berendsen, H. J. C. (1993) Proteins Struct. Funct. Genet. 17, 412-425.
60. Garcia, A. (1992) Phys. Rev. Lett. 68, 2696-2699.
61. Smit, A., Brej, K., Syed, N. & Sixma, T. (2003) Ann. N.Y. Acad. Sci. 998, 81-92.
62. Bouzat, C., Gumilar, F., Spitzmaul, G., Wang, H., Rayes, D., Hansen, S., Taylor, P. & Sine, S. M. (2004) Nature 430, 896-900.
63. Absalom, N., Lewis, T. & Schofield, P. (2004) Exp. Physiol. 89, 145-153.
64. Bera, A., Chatav, M. & Akabas, M. (2002) J. Biol. Chem. 277, 43002-43010.
65. Grosman, C., Zhou, M. & Auerbach, A. (2000) Nature 403, 773-776.
66. Downie, D. L., Vicente-Agullo, F., Campos-Caro, A., Bushell, T. J., Lieb, W. R. & Franks, N. P. (2002) J. Biol. Chem. 277, 10367-10373.
67. Yakamura, T., Borghese, C. & Harris, R. A. (2000) J. Biol. Chem. 275, 40879-40886.
68. Kash, T., Jenkins, A., Kelley, J., Trudell, J. & Harrison, N. (2003) Nature 421, 272-275.
69. Chiara, D., Dangott, L., Eckenhoff, R. G. & Cohen, J. (2003) Biochemistry 42, 13457-13467.
70. Bali, M. & Akabas, M. (2004) Mol. Pharmacol. 65, 68-76.
71. Mascia, M. P., Trudell, J. & Harris, R. A. (2001) Proc. Natl. Acad. Sci. USA 97, 9305-9310.
72. Jozwiak, K., Ravichandran, S., Collins, J. & Wainer, I. (2004) J. Med. Chem. 47, 4008-4021.
73. Campagna, J., Millar, K. & Forman, S. (2003) N. Engl. J. Med. 348, 2110-2124.
74. Eckenhoff, R. G. & Johansson, J. S. (1997) Am. Chem. Soc. Pharmacol. Exp. Ther. 49, 343-364.
75. Corry, B. (2004) Biochim. Biophys. Acta 1663, 2-5.
76. Wilson, G. G. & Karlin, A. (1998) Neuron 20, 1269-1281.
77. Montal, M. O., Iwamoto, T., Tomich, J. M. & Montal, M. (1993) FEBS Lett. 320, 261-266.
78. Hucho, F. & Hilgenfeld, R. (1989) FEBS Lett. 257, 17-23.
79. Unwin, N. (1989) Neuron 3, 665-676.
80. Imoto, K., Busch, C., Sakmann, B., Mishina, M., Konno, T., Nakai, J., Buyo, H., Mori, Y., Kukuda, K. & Numa, S. (1988) Nature 335, 645-648.
81. Auerbach, A. & Akk, G. (1998) J. Gen. Physiol. 112, 181-197.
82. Kim, S., Chamberlain, A. & Bowie, J. (2004) Biophys. J. 87, 792-799.
83. Wilson, G. G. & Karlin, A. (2001) Proc. Natl. Acad. Sci. USA 98, 1241-1248.
84. Corringer, P., Galzi, J., Eisele, J., Bertrand, S., Changeux, J. & Bertrand, D. (1995) J. Biol. Chem. 270, 11749-11752.
85. Grosman, C. & Auerbach, A. (2000) J. Gen. Physiol. 115, 637-651.