The proficiency of a thermophilic chorismate mutase enzyme is solely through an entropic advantage in the enzyme reaction

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

Volumn 102, Issue 51, 2005, Pages 18356-18360

  Zhang, Xiaohua ^a   Bruice, Thomas C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Potential of mean force; Quantum mechanics molecular mechanics; Self consistent charge density functional tight binding

Indexed keywords

CHORISMATE MUTASE;

ANALYTIC METHOD; ARTICLE; DENSITY FUNCTIONAL THEORY; ENTROPY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE; ENZYME SUBSTRATE COMPLEX; HISTOGRAM; MOLECULAR INTERACTION; MOLECULAR MECHANICS; NONHUMAN; PRIORITY JOURNAL; QUANTUM MECHANICS; STRUCTURE ANALYSIS; THERMOPHILIC BACTERIUM; TIGHT JUNCTION;

BINDING SITES; CHORISMATE MUTASE; CHORISMIC ACID; ELECTROSTATICS; ENTROPY; MOLECULAR STRUCTURE; THERMUS THERMOPHILUS;

BACTERIA (MICROORGANISMS); THERMUS THERMOPHILUS;

EID: 29444455393     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0509234102     Document Type: Article

References (30)

1. Guilford, W. J., Copley, S. D. & Knowles, J. R. (1987) J. Am. Chem. Soc. 109, 5013-5019.
2. Bruice, T. C. (2002) Acc. Chem. Res. 35, 139-148.
3. Ganem, B. (1996) Angew. Chem. Int. Ed. 35, 937-945.
4. Hur, S. & Bruice, T. C. (2003) Proc. Natl. Acad. Sci. USA 100, 12015-12020.
5. Hur, S. & Bruice, T. C. (2003) J. Am. Chem. Soc. 125, 5964-5972.
6. Zhang, X. D., Zhang, X. H. & Bruice, T. C. (2005) Biochemistry 44, 10443-10448.
7. Mazumder-Shivakumar, D. & Bruice, T. C. (2005) Biochemistry 44, 7805-7817.
8. Helmstaedt, K., Heinrich, G., Merkl, R. & Braus, G. H. (2004) Arch. Microbiol. 181, 195-203.
9. Tahirov, T. H., Inagaki, E., Ohshima, N., Kitao, T., Kuroishi, C., Ukita, Y., Takio, K., Kobayashi, M., Kuramitsu, S., Yokoyama, S. & Miyano, M. (2004) J. Mol. Biol. 337, 1149-1160.
10. Mattei, P., Kast, P. & Hilvert, D. (1999) Eur. J. Biochem. 261, 25-32.
11. Warshel, A. & Levitt, M. (1976) J. Mol. Biol. 103, 227-249.
12. Lazaridis, T., Tobias, D. J., Brooks, C. L. & Paulaitis, M. E. (1991) J. Chem. Phys. 95, 7612-7625.
13. Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. & Karplus, M. (1983) J. Comput. Chem. 4, 187-217.
14. Elstner, M., Porezag, D., Jungnickel, G., Elsner, J., Haugk, M., Frauenheim, T., Suhai, S. & Seifert, G. (1998) Phys. Rev. B 58, 7260-7268.
15. Cui, Q. & Karplus, M. (2002) J. Am. Chem. Soc. 124, 3093-3124.
16. Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. (1983) J. Chem. Phys. 79, 926-935.
17. Brooks, C. L. & Karplus, M. (1989) J. Mol. Biol. 208, 159-181.
18. Beveridge, D. L. & Dicapua, F. M. (1989) Annu. Rev. Biophys. Biophys. Chem. 18, 431-492.
19. Strajbl, M., Shurki, A., Kato, M. & Warshel, A. (2003) J. Am. Chem. Soc. 125, 10228-10237.
20. Ferrenberg, A. M. & Swendsen, R. H. (1989) Phys. Rev. Lett. 63, 1195-1198.
21. Kumar, S., Bouzida, D., Swendsen, R. H., Kollman, P. A. & Rosenberg, J. M. (1992) J. Comput. Chem. 13, 1011-1021.
22. Kleywegt, G. J. & Jones, T. A. (1994) Acta Crystallogr. D 50, 178-185.
23. Gustin, D. J., Mattei, P., Kast, P., Wiest, O., Lee, L., Cleland, W. W. & Hilvert, D. (1999) J. Am. Chem. Soc. 121, 1756-1757.
24. Guo, H., Cui, Q., Lipscomb, W. N. & Karplus, M. (2001) Proc. Natl. Acad. Sci. USA 98, 9032-9037.
25. Guo, H., Cui, Q., Lipscomb, W. N. & Karplus, M. (2003) Angew. Chem. Int. Ed. 42, 1508-1511.
26. Repasky, M. P., Guimaraes, C. R. W., Chandrasekhar, J., Tirado-Rives, J. & Jorgensen, W. L. (2003) J. Am. Chem. Soc. 125, 6663-6672.
27. Guimaraes, C. R. W., Repasky, M. P., Chandrasekhar, J., Tirado-Rives, J. & Jorgensen, W. L. (2003) J. Am. Chem. Soc. 125, 6892-6899.
28. Guimaraes, C. R. W., Udier-Blagovic, M., Tubert-Brohman, I. & Jorgensen, W. L. (2005) J. Chem. Theory Comput. 1, 617-625.
29. Wright, S. K., DeClue, M. S., Mandal, A., Lee, L., Wiest, O., Cleland, W. W. & Hilvert, D. (2005) J. Am. Chem. Soc. 127, 12957-12964.
30. Kienhofer, A., Kast, P. & Hilvert, D. (2003) J. Am. Chem. Soc. 125, 3206-3207.