Molecular dynamics studies of odorant binding protein free of ligand and complexed to pyrazine and octenol

Journal of Molecular Structure: THEOCHEM

Volumn 763, Issue 1-3, 2006, Pages 165-174

  Golebiowski, Jérôme ^a   Antonczak, Serge ^a   Cabrol Bass, Daniel ^a  

^a UNIVERSITÉ CÔTE D'AZUR   (France)

Author keywords

Lipocalin; Molecular dynamics; Odorant; Olfaction; Proteins structures

Indexed keywords

EID: 33646168072     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.013     Document Type: Article

References (36)

1. Meierhenrich U., Golebiowski J., Fernandez X., and Cabrol-Bass D. Angew. Chem. 116 (2004) 6570-6573 (Angew. Chem. Int. Ed. Engl. 43 (2004) 6410-6412)
2. Firestein S. Nature 413 (2001) 211-218
3. Flower D.R. Biochem. J. 318 (1996) 1-14
4. Flower D.R. J. Mol. Recognit. 8 (1995) 185-195
5. Pelosi P., Pisanelli A.M., Badaccini N.E., and Gagliardo A. Chem. Senses 6 (1981) 77-85
6. Pelosi P. Crit. Rev. Biochem. Mol. Biol. 29 (1994) 199-228
7. Dear T.N., Campell K., and Rabbitts T. Biochemistry 30 (1991) 10376-10382
8. Felicioli A., Ganni M., Garibotti M., and Pelosi P. Comp. Biochem. Physiol. 105 (1993) 775-784
9. Pes D., and Pelosi P. Comp. Biochem. Physiol. 112 (1995) 471-479
10. Pevsner J., Reed R.R., Feinstein P.G., and Snyder S.H. Science 241 (1988) 336-339
11. Löbel D., Marchese S., Krieger J., Pelosi P., and Breer H. Eur. J. Biochem. 254 (1998) 318-324
12. Löbel D., Strotmann J., Jacob M., and Breer H. Chem. Senses 26 (2001) 673-680
13. Boudjelal M., Sivaprasadarao A., and Findlay J.B. J. Biochem. 317 (1996) 23-27
14. Lazar J., Greenwood D.R., Rasmussen L.E.L., and Prestwich G.D. Biochemistry 41 (2002) 11786-11794
15. Pelosi P., Baldaccini N.E., and Pisanelli A.M. Biochem. J. 201 (1982) 245-248
16. Bianchet M.A., Bains G., Pelosi P., Pevsner J., Snyder S.H., Monaco H.L., and Amzel L.M. Nat. Struct. Biol. 3 (1996) 934-939
17. Tegoni M., Ramoni R., Bignetti E., Spinelli S., and Cambillau C. Nat. Struct. Biol. 3 (1996) 863-867
18. Spinelli S., Ramoni R., Grolli S., Bonicel J., Cambillau C., and Tegoni M. Biochemistry 37 (1998) 7913-7918
19. Burova T.V., Choiset Y., Jankowski C.K., and Haertle T. Biochemistry 38 (1999) 15043-15051
20. Pevsner J., Hou V., Snowman A.M., and Snyder S.H. J. Biol. Chem. 265 (1990) 6118-6125
21. Dal Monte M., Andreini I., Revoltella R., and Pelosi P. Comp. Biochem. Physiol. Biol. 99 (1991) 445-451
22. Herent M.F., Collin S., and Pelosi P. Chem. Senses 20 (1995) 601-608
23. Vincent F., Spinelli S., Ramoni R., Grolli S., Pelosi P., Cambillau C., and Tegoni M. J. Mol. Biol. 300 (2000) 127-139
24. (a) D.A. Case, D.A. Pearlman, J.W. Caldwell, T.E. Cheatham III, W.S. Ross, C. Simmerling, T. Darden, K.M.J. Merz, R.V. Stanton, A. Chen, J.J. Vincent, M. Crowley, V. Tsui, R. Radmer, Y. Duan, J. Pitera, I. Massova, G.L. Seibel, U.C. Singh, P. Weiner, P.A. Kollman, AMBER6.0.
25. (b) M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratman, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, C. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzales, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98, Gaussian Inc., Pittsburgh, PA, 1998.
26. Bayly C.I., Cieplak P., Cornell W.D., and Kollman P.A. J. Phys. Chem. 97 (1993) 10269-10280
27. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., and Klein M.L. J. Chem. Phys. 79 (1983) 926-935
28. Vincent F., Löbel D., Brown K., Spinelli S., Grote P., Breer H., Cambillau C., and Tegoni M. J. Mol. Biol. 305 (2001) 459-469
29. Matarazzo V., Zsürger N., Guillemot J.C., Clot-Faybesse O., Botto J.M., Dal Farra C., Crowe M., Demaille J., Vincent J.P., Mazella J., and Ronin C. Chem. Senses 27 (2002) 691-701
30. Ramoni R., Vincent F., Grolli S., Conti V., Malosse C., Boyer F.D., Nagnan-Le Meillour P., Spinelli S., Cambillau C., and Tegoni M. J. Biol. Chem. 276 (2001) 7150-7155
31. Bocskei Z., Groom C.R., Flower D.R., Wright C.E., Phillips S.E.V., Cavaggioni A., Findlay J.B.C., and North A.C.T. Nature 360 (1992) 186-188
32. Grégoire C., Tavares G.A., Lorenzo H.K., Dandeu J.P., David B., and Alzari P.M. Acta Crystallogr., Sect. D 55 (1999) 880-882
33. Spinelli S., Vincent F., Pelosi P., Tegoni M., and Cambillau C. Eur. J. Biochem. 269 (2002) 2449-2456
34. Nespoulous C., Briand L., Delage M.M., Tran V., and Pernollet J.C. Chem. Senses 29 (2004) 189-198
35. Horst R., Damberger F., Luginbuhl P., Guntert P., Peng G., Nikonova L., Leal W.S., and Wuthrich K. PNAS 98 (2001) 14374-14379
36. Guex N., and Peitsch M.C. Electrophoresis 18 (1997) 2714-2723