Yeast chorismate mutase in the R state: Simulations of the active site

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

Volumn 95, Issue 25, 1998, Pages 14640-14645

  Ma, Jianpeng ^a   Zheng, Xiaofeng ^a   Schnappauf, Georg ^b   Braus, Gerhard ^b   Karplus, Martin ^a,c   Lipscomb, William N ^a  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Allosteric enzyme; Enzyme catalysis; Molecular dynamics; Protonation state; Stochastic boundary condition

Indexed keywords

CHORISMATE MUTASE; CHORISMIC ACID; GLUTAMIC ACID; LYSINE; PHENYLALANINE; TYROSINE;

ARTICLE; ENZYME ACTIVE SITE; ENZYME MECHANISM; ISOMERISM; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTON TRANSPORT;

BINDING SITES; CATALYSIS; CHORISMATE MUTASE; ENZYME ACTIVATION; ISOENZYMES; PROTEIN CONFORMATION; SACCHAROMYCES CEREVISIAE;

EID: 0032411246     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.95.25.14640     Document Type: Article

References (42)

1. Weiss, U. & Edwards, J. M. (1980) The Biosynthesis of Aromatic Amino Compounds (Wiley, New York).
2. Braus, G. H. (1991) Microbiol. Rev. 55, 349-370.
3. Schmidheini, T., Mosch, H. U., Evans, J. N. & Braus, G. (1990) Biochemistry 29, 3660-3668.
4. Sträter, N., Schnappauf, G., Braus, G. & Lipscomb, W. N. (1997) Structure 5, 1437-1452.
5. Sträter, N., Hakansson, K., Schnappauf, G., Braus, G. & Lipscomb, W. N. (1996) Proc. Natl. Acad. Sci. USA 93, 3330-3334.
6. Sogo, S. G., Widlanski, T. S., Hoare, J. H., Grimshaw, C. E., Berchtold, G. A. & Knowles, J. R. (1984) J. Am. Chem. Soc. 106, 2701-2703.
7. Copley, S. D. & Knowles, J. R. (1985) J. Am. Chem. Soc. 107, 5306-5308.
8. Copley, S. D. & Knowles, J. R. (1987) J. Am. Chem. Soc. 109, 5008-5013.
9. Guilford, W. J., Copley, S. D. & Knowles, J. R. (1987) J. Am. Chem. Soc. 109, 5013-5019.
10. Bartlett, P. A. & Jackson, C. R. (1985) Biopolymers 97, 843-865.
11. Mader, M. M. & Bartlett, P. A. (1997) Chem. Rev. (Washington, DC) 97, 1281-1301.
12. Schnappauf, G., Sträter, N., Lipscomb, W. N. & Braus, G. H. (1997) Proc. Natl. Acad. Sci. USA 94, 8491-8496.
13. Xue, Y. & Lipscomb, W. N. (1995) Proc. Natl. Acad. Sci. USA 92, 10595-10598.
14. Lee, A. Y., Karplus, A. P., Ganem, B. & Clardy, J. (1995) J. Am. Chem. Soc. 117, 3627-3628.
15. Lin, S. L., Xu, D., Li, A., Rosen, M., Wolfson, H. J. & Nussinov, R. (1997) J. Mol. Biol. 271, 838-845.
16. Brooks, C. L., III, Brunger, A. & Karplus, M. (1985) Biopolymers 24, 843-865.
17. Brooks, C. L., III, & Karplus, M. (1989) J. Mol. Biol. 208, 159-181.
18. Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. & Karplus, M. (1983) J. Comput. Chem. 4, 187-217.
19. MacKerell, A. D., Jr., Bashford, D., Bellott, M., Dunbrack, R. L., Jr., Evanseck, J. D., Field, M. J., Fischer, S., Gao, J., Gao, H., Ha, S., et al. (1998) J. Phys. Chem., Series B, 3586-3616.
20. Jorgensen, W. L. (1981) J. Am. Chem. Soc. 103, 335-340.
21. Neria, E., Fisher, S. & Karplus, M. (1996) J. Chem. Phys. 105, 1902-1921.
22. Halgren, T. A. (1996) J. Comput. Chem. 17, 490-519.
23. Halgren, T. A. (1996) J. Comput. Chem. 17, 520-552.
24. Halgren, T. A. (1996) J. Comput. Chem. 17, 553-586.
25. Halgren, T. A. & Nachbar, R. B. (1996) J. Comput. Chem. 17, 587-615.
26. Halgren, T. A. (1996) J. Comput. Chem. 17, 616-641.
27. Brooks, C. L., III, & Karplus, M. (1983) J. Chem. Phys. 79, 6312-6325.
28. Davis, M. E., Madura, J. D., Luty, B. A. & McCammon, J. A. (1991) Comput. Phys. Commun. 62, 187-197.
29. Honig, B. & Nicholls, A. (1995) Science 268, 1144-1149.
30. Bashford, D. & Karplus, M. (1990) Biochemistry 29, 10219-10225.
31. Schaefer, M., Sommer, M. & Karplus, M. (1997) J. Phys. Chem. 101, 1663-1683.
32. Addadi, L., Jaffe, E. K. & Knowles, J. R. (1983) Biochemistry 22, 4494-4501.
33. Gray, J. V., Eren, D. & Knowles, J. R. (1990) Biochemistry 29, 8872-8878.
34. Gorisch, H. (1978) Biochemistry 17, 3700-3705.
35. Andrews, P. R., Smith, G. D. & Young, I. G. (1973) Biochemistry 12, 3492-3498.
36. Chook, Y. M., Gray, J. V., Ke, H. & Lipscomb, W. N. (1994) J. Mol. Biol. 240, 476-500.
37. Chook, Y. M., Ke, H. & Lipscomb, W. N. (1993) Proc. Natl. Acad. Sci. USA 90, 8600-8603.
38. Hins, H. J., Shiao, D. F. & Sturtevant, J. M. (1971) Biochemistry 10, 1347-1352.
39. Sturtevant, J. M. (1977) Proc. Natl. Acad. Sci. USA 74, 2236-2240.
40. Naghibi, H., Tamura, A. & Sturtevant, J. M. (1995) Proc. Natl. Acad. Sci. USA 92, 5597-5599.
41. Kast, P., Asif-Ullah, M. & Hilvert, D. (1996) Tetrahedron Lett. 37, 2691-2694.
42. Galopin, C. C., Zhang, S., Wilson, D. B. & Ganem, B. (1996) Tetrahedron Lett. 37, 8675-8678.