A computational method to identify residues important in creating a protein promoting vibration in enzymes

Journal of Physical Chemistry B

Volumn 107, Issue 1, 2003, Pages 366-371

  Mincer, Joshua S ^a   Schwartz, Steven D ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CATALYSIS; HYDRIDES; MOLECULAR DYNAMICS;

HORSE LIVER ALCOHOL DEHYDROGENASE (HLADH);

ENZYMES;

EID: 0037426823     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027017j     Document Type: Article

References (24)

1. Antoniou, D.; Caratzoulas, S.; Kalyanaraman, C.; Mincer, J. S.; Schwartz, S. D. Eur. J. Biochem. 2002, 269, 3103-3112.
2. Antoniou, D.; Schwartz, S. D. J. Chem. Phys. 1998, 109, 2287-2293.
3. Antoniou, D.; Schwartz, S. D. J. Chem. Phys. 1998, 108, 3620-3625.
4. Antoniou, D.; Schwartz, S. D. J. Phys. Chem. B 2001, 105, 5553-5558.
5. Bahnson, B.; Park, D.-H.; Kim, K.; Plapp, B. V.; Klinman, J. P. Biochemistry 1993, 32, 5503-5507.
6. Bahnson, B. J.; Colby, T. D.; Chin, J. K.; Goldstein, B. M.; Klinman, J. P. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 12797-12802.
7. Luo, J.; Kahn, K.; Bruice, T. C. Bioorg. Chem. 1999, 27, 289-296.
8. Kohen, A.; Cannio, R.; Bartolucci, S.; Klinman, J. Nature 1999, 399, 496-499.
9. Caratzoulas, S.; Schwartz, S. D. J. Chem. Phys. 2001, 114, 2910-2918.
10. Caratzoulas, S.; Mincer, J. S.; Schwartz, S. D. J. Am. Chem. Soc. 2002, 124, 3270-3276.
11. McQuarrie, D. A. Statistical Mechanics; University Science Books: Sausalito, CA. 2000.
12. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187-217.
13. Allen, M. P.; Tildesley, D. J. Computer Similation of Liquids; Clarendon: Oxford, U.K., 1987.
14. Chin, J. K.; Klinman, J. P. Biochemistry 2000, 39, 1278-1284.
15. In addition to articles already cited, see, for example: (a) Sutcliffe, M. J.; Scrutton, N. S. Eur. J. Biochem. 2002, 269, 3096-3102.
16. (b) Knapp, M. J.; Klinman, J. P. Eur. J. Biochem. 2002, 269, 3113-3121.
17. Beasley, J. R.; Hecht, M. H. J. Biol. Chem. 1997, 272, 2031-2034.
18. Theoretical studies of hydride transfer in LADH include the following: (a) Agarwal, P. K.; Webb, S. P.; Hammes-Schiffer, S. J. Am. Chem. Soc. 2000, 122, 4803-4812.
19. (b) Webb, S. P.; Agarwal, P. K.; Hammes-Schiffer, S. J. Phys. Chem. B 2000, 104, 8884-8894.
20. (c) Billeter, S. R.; Webb, S. P.; Agarwal, P. K.; Iordanov, T.; Hammes-Schiffer, S. J. Am. Chem. Soc. 2001, 123, 11262-11272.
21. (d) Alhambra, C.; Corchado, J. C.; Sanchez, M. L.; Gao, J.; Truhlar, D. G. J. Am. Chem. Soc. 2000, 122, 8197-8203.
22. (e) Alhambra, C.; Corchado, J.; Sanchez, M. L.; Garcia-Viloca, M.; Gao, J.; Truhlar, D. G. J. Phys. Chem. B 2001, 105, 11326-11340.
23. (f) Truhlar, D. G.; Gao, J.; Alhambra, C.; Garcia-Viloca, M.; Corchado, J.; Sanchez, M. L.; Villa, J. Acc. Chem. Res. 2002, 35, 341-349.
24. A recent theoretical study of tunneling in methylamine dehydrogenase: Faulder, P. F.; Tresadern, G.; Chohan, K. K.; Scrutton, N. S.; Sutcliffe, M. J.; Hillier, I. H., Burton, N. A. J. Am. Chem. Soc. 2001, 123, 8604-8605.