Mass-dependent bond vibrational dynamics influence catalysis by HIV-1 protease

Journal of the American Chemical Society

Volumn 133, Issue 48, 2011, Pages 19358-19361

  Kipp, D Randal ^a   Silva, Rafael G ^a   Schramm, Vern L ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER CROSSING; BORN-OPPENHEIMER APPROXIMATION; CATALYTIC EFFECTS; CATALYTIC TURNOVER; DYNAMIC LINKS; ELECTROSTATIC PROPERTIES; FEMTOSECOND TIME SCALE; FEMTOSECONDS; FLUORESCENT PEPTIDES; HIV-1 PROTEASE; HYDROGEN ATOMS; ISOTOPIC SUBSTITUTION; PROTEIN MOTION; REACTION COORDINATES; TIME-SCALES; TRANSITION-STATE; VIBRATIONAL DYNAMICS;

APPROXIMATION THEORY; HYDROGEN; REACTION RATES;

ENZYMES;

CARBON; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HYDROGEN; NITROGEN;

ARTICLE; CATALYSIS; CIRCULAR DICHROISM; ENZYME KINETICS; ENZYME SUBSTRATE; HYDROGEN BOND; PROTEIN CONFORMATION; PROTEIN TRANSPORT;

CIRCULAR DICHROISM; HIV INFECTIONS; HIV PROTEASE; HIV-1; KINETICS; MOLECULAR DYNAMICS SIMULATION;

EID: 82555185640     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja209391n     Document Type: Article

References (25)

1. Wolfenden, R.; Snider, M. J. Acc. Chem. Res. 2001, 34, 938
2. Schramm, V. L. Annu. Rev. Biochem. 2011, 80, 703
3. Hammes-Schiffer, S.; Benkovic, S. J. Annu. Rev. Biochem. 2006, 75, 519
4. Boehr, D. D.; Dyson, H. J.; Wright, P. E. Chem. Rev. 2006, 106, 3055
5. Henzler-Wildman, K. A.; Thai, V.; Lei, M.; Ott, M.; Wolf-Watz, M.; Fenn, T.; Pozharski, E.; Wilson, M. A.; Petsko, G. A.; Karplus, M.; Hubner, C. G.; Kern, D. Nature 2007, 450, 838
6. Eisenmesser, E. Z.; Bosco, D. A.; Akke, M.; Kern, D. Science 2002, 295, 1520
7. Schwartz, S. D.; Schramm, V. L. Nat. Chem. Biol. 2009, 5, 551
8. Saen-Oon, S.; Quaytman-Machleder, S.; Schramm, V. L.; Schwartz, S. D. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 16543
9. Antoniou, D.; Basner, J.; Nunez, S.; Schwartz, S. D. Chem. Rev. 2006, 106, 3170
10. Antoniou, D.; Schwartz, S. D. J. Phys. Chem. B 2001, 105, 5553
11. Cui, Q.; Karplus, M. J. Phys. Chem. B 2002, 106, 7927
12. Silva, R. G.; Murkin, A. S.; Schramm, V. L. Proc. Natl. Acad. Sci. U.S.A. 2011, doi: 10.1073/pnas.1114900108 in press.
13. Nashine, V. C.; Hammes-Schiffer, S.; Benkovic, S. J. Curr. Opin. Chem. Biol. 2010, 14, 644
14. Olsson, M. H.; Parson, W. W.; Warshel, A. Chem. Rev. 2006, 106, 1737
15. Pilar, F. L. In Elementary Quantum Chemistry; Dover Publications: Mineola, NY, 1990; p 309.
16. Navia, M. A.; Fitzgerald, P. M.; McKeever, B. M.; Leu, C. T.; Heimbach, J. C.; Herber, W. K.; Sigal, I. S.; Darke, P. L.; Springer, J. P. Nature 1989, 337, 615
17. Wlodawer, A.; Miller, M.; Jaskolski, M.; Sathyanarayana, B. K.; Baldwin, E.; Weber, I. T.; Selk, L. M.; Clawson, L.; Schneider, J.; Kent, S. B. Science 1989, 245, 616
18. Louis, J. M.; Ishima, R.; Torchia, D. A.; Weber, I. T. Adv. Pharmacol. 2007, 55, 261
19. Porter, D. J.; Hanlon, M. H.; Furfine, E. S. Biochemistry 2002, 41, 1302
20. Brik, A.; Wong, C. H. Org. Biomol. Chem. 2003, 1, 5
21. Hyland, L. J.; Tomaszek, T. A., Jr.; Roberts, G. D.; Carr, S. A.; Magaard, V. W.; Bryan, H. L.; Fakhoury, S. A.; Moore, M. L.; Minnich, M. D.; Culp, J. S. Biochemistry 1991, 30, 8441
22. Kumar, M.; Prashar, V.; Mahale, S.; Hosur, M. V. Biochem. J. 2005, 389, 365
23. Kovalevsky, A. Y.; Chumanevich, A. A.; Liu, F.; Louis, J. M.; Weber, I. T. Biochemistry 2007, 46, 14854
24. Das, A.; Mahale, S.; Prashar, V.; Bihani, S.; Ferrer, J. L.; Hosur, M. V. J. Am. Chem. Soc. 2010, 132, 6366
25. Johnson, K. A. In The Enzymes; Academic Press, Inc: New York, 1992; Vol. 20, p 1.