Multiple versus single pathways in electron transfer in proteins: Influence of protein dynamics and hydrogen bonds

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 3550-3558

  Kobayashi, Chigusa ^a   Baldridge, Kim ^a   Onuchic, José N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRON TRANSPORT PROPERTIES; ELECTRON TUNNELING; ENERGY GAP; GREEN'S FUNCTION; HAMILTONIANS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUMERICAL ANALYSIS; QUANTUM THEORY;

ELECTRON TRANSFER; PROTEIN DYNAMICS; QUANTUM CHEMISTRY; TUNNELING MATRIX;

PROTEINS;

EID: 0042880952     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1588293     Document Type: Article

References (55)

1. D. S. Bendall, Protein Electron Transfer (Bios Scientific, Oxford, 1996).
2. W. A. Cramer and D. B. Knaff, Energy Transduction in Biological Membranes (Springer-Verlag, New York, 1990).
3. J. J. Jortner and M. Bixon, Electron Transfer-From Isolated Molecules to Biomolecules (Wiley, New York, 1999).
4. A. Warshel and W. W. Parson, Q. Rev. Biophys. 34, 563 (2001).
5. R. A. Marcus, J. Chem. Phys. 24, 979 (1956)
6. R. A. Marcus, J. Chem. Phys. 43, 679 (1965).
7. M. D. Newton, Chem. Rev. 91, 767 (1991).
8. J. J. Hopfield, Proc. Natl. Acad. Sci. U.S.A. 74, 3840 (1974).
9. J. J. Jortner, J. Chem. Phys. 64, 4860 (1976).
10. D. N. Beratan, J. N. Betts, and J. N. Onuchic, Science 252, 1285 (1991).
11. J. N. Onuchic, D. N. Beratan, J. R. Winkler, and H. B. Gray, Annu. Rev. Biophys. Biomol. Struct. 21, 349 (1992).
12. J. J. Regan and J. N. Onuchic, Adv. Chem. Phys. 107, 497 (1999).
13. J. N. Gehlen, I. Daizadeh, A. A. Stuchebrukhov, and R. A. Marcus, Inorg. Chim. Acta 243, 271 (1996).
14. P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 2400 (1993).
15. I. A. Balabin and J. N. Onuchic, J. Phys. Chem. B 102, 7497 (1998).
16. Q. Xie, G. Archontis, and S. S. Skourtis, Chem. Phys. Lett. 312, 237 (1999).
17. A. Okada, T. Kakitani, and J. Inoue, J. Phys. Chem. 99, 2946 (1995).
18. T. Kawatsu, T. Kakitani, and T. Yamato, Inorg. Chim. Acta 300, 862 (2000)
19. T. Kawatsu, T. Kakitani, and T. Yamato, J. Phys. Chem. B 105, 4424 (2001).
20. T. Kawatsu, T. Kakitani, and T. Yamato, J. Phys. Chem. B 106, 11356 (2002).
21. A. Broo and S. Larsson, Chem. Phys. 161, 363 (1992).
22. J. Wolfgang, S. M. Risser, S. Priyadarshy, and D. N. Beratan, J. Phys. Chem. B 101, 2986 (1997).
23. S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994).
24. M. D. Newton, J. Phys. Chem. 92, 3049 (1988)
25. M. D. Newton, J. Phys. Chem. 95, 30 (1991).
26. C. Liang and M. D. Newton, J. Phys. Chem. 96, 2855 (1992).
27. R. J. Cave, D. V. Baxter, W. A. Goddard III, and J. D. Baldeschwieler, J. Chem. Phys. 87, 926 (1987).
28. S. Priyadarshy, S. S. Skourtis, S. M. Risser, and D. N. Beratan, J. Chem. Phys. 104, 9473 (1996).
29. I. V. Kurnikov and D. N. Beratan, J. Chem. Phys. 105, 9561 (1996).
30. J. Kim and A. Stuchebrukhov, J. Phys. Chem. B 104, 8606 (2000).
31. D. M. Medvedev, J. Daizadeh, and A. A. Stuchebrukhov, J. Am. Chem. Soc. 122, 6571 (2000).
32. I. A. Balabin and J. N. Onuchic, Science 290, 114 (2000).
33. J. R. Winkler and H. B. Gray, JBIC, J. Biol. Inorg. Chem. 2, 399 (1997).
34. L. K. Skov, T. Pascher, J. R. Winkler, and H. B. Gray, J. Am. Chem. Soc. 120, 1102 (1998).
35. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
36. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
37. T. H. Dunning, Jr. and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977), Vol. 2.
38. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985)
39. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
40. R. E. M. Siegbahn, Adv. Chem. Phys. 93, 333 (1996).
41. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
42. J. S. Binkley, J. A. Pople, and W. J. Hehre, J. Am. Chem. Soc. 102, 939 (1980).
43. E. N. Baker, J. Mol. Biol. 203, 1071 (1988).
44. H. Nar, A. Messerschmidt, R. Huber, M. ver de Kamp, and G. W. Canters, J. Mol. Biol. 218, 427 (1991).
45. R. Langen, I. Chang, J. P. Germanas, J. H. Richards, J. R. Winkler, and H. B. Gray, Science 268, 1733 (1995).
46. R. Langen, J. L. Colón, D. R. Casimiro, T. B. Karpishin, J. R. Winkler, and H. B. Gray, JBIC, J. Biol. Inorg. Chem. 1, 221 (1996).
47. A. A. Stuchebrukhov, J. Chem. Phys. 104, 8424 (1996)
48. A. A. Stuchebrukhov, J. Chem. Phys. 105, 10819 (1996)
49. A. A. Stuchebrukhov, J. Chem. Phys. 108, 8499 (1998).
50. I. Daizadeh, E. S. Medvedev, and A. A. Stuchebrukhov, Proc. Natl. Acad. Sci. U.S.A. 94, 3703 (1997).
51. D. A. Case, D. A. Pearlman, J. W. Caldwell et al., computer code AMBER 6, University of California, San Francisco, 1999.
52. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 117, 5179 (1995).
53. J. R. Winkler, A. J. Di Bilio, N. A. Farrow, J. H. Richards, and H. B. Gray, Pure Appl. Chem. 71, 1753 (1999).
54. S. Larsson, J. Chem. Soc., Faraday Trans. 2 79, 1375 (1983).
55. M. L. Jones, I. V. Kurnikov, and D. N. Beratan, J. Phys. Chem. A 106, 2002 (2002).