Theoretical studies of manganese and iron superoxide dismutases: Superoxide binding and superoxide oxidation

Journal of Physical Chemistry B

Volumn 109, Issue 51, 2005, Pages 24502-24509

  Abreu, Isabel A ^a   Rodriguez, José A ^a   Cabelli, Diane E ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BONDING; ELECTRON TRANSITIONS; HYDROGEN BONDS; IONIZATION; IRON; METALS; OXIDATION; REACTION KINETICS;

GLUTAMINE; PROTONATION; SUPEROXIDE; TYROSINE-34;

MANGANESE;

EID: 30344465002     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052368u     Document Type: Article

References (59)

1. (a) Miller, A.-F.; Sorkin, D. L. Comments Mol. Cell. Biophys. 1997, 9, 1.
2. (b) Miller, A.-F.; Padmakumar, K.; Sorkin, D. L.; Karapetian, A.; Vance, C. K. J. Inorg. Biochem. 2003, 93, 71.
3. (c) Cabelli, D. E.; Riley, D.; Rodriguez, J. A.; Valentine, J. S.; Zhu, H. Models of Superoxide Dismutase. In Biomimetic Chemistry; Meunier, B., Ed.; Imperial College Press: London, 2000; pp 461-508 and references therein.
4. (a) Lévêque, V. J.-P.; Stroupe, M. E.; Lepock, J. R.; Cabelli, D. E.; Tainer, J. A.; Nick, H. S.; Silverman, D. N. Biochemistry 2000, 39, 7131.
5. (b) Getzoff, E. D.; Cabelli, D. E.; Fisher, C. L.; Parge, H. E.; Viezzoli, M. S.; Banci, L.; Hallewell, R. A. Nature 1992, 358, 347.
6. (c) D'Alessandro, M.; Aschi, M.; Paci, M.; Di Nola, A.; Amadei, A. J. Phys. Chem. B 2004, 108, 16255.
7. (a) Jackson, T. A.; Brunold, T. C. Acc. Chem. Res. 2004, 37, 461.
8. (b) Bull, C.; Fee, J. A. J. Am. Chem. Soc. 1985, 107, 3295.
9. Superoxide Dismutase; Packer, L., Ed.; Methods in Enzymology 349; Academic Press: San Diego, 2002.
10. (a) Whitaker, J. W. Biochem. Soc. Trans. 2003, 31, 1318.
11. (b) Lab, M. S.; Dixon, M. M.; Pattridge, K. A.; Stallings, W. C.; Fee, J. A.; Ludwig, M. L. Biochemistry 1995, 34, 1646.
12. (c) Hunter, T.; Bannister, J. V.; Hunter, G. J. Eur. J. Biochem. 2002, 269, 5137.
13. (d) Jackson, S. M. J.; Cooper, J. B. BioMetals 1998, 11, 159.
14. (e) Schwartz, A. L.; Yikilmaz, E.; Vance, C. K.; Vathyam, S.; Koder, R. L.; Miller, A. F. J. Inorg. Biochem. 2000, 80, 247.
15. (a) Maliekal, J.; Karapetian, A.; Vance, C.; Yikilmaz, E.; Wu, Q.; Jackson, T.; Brunold, T. C.; Spiro, T. G.; Miller, A.-F. J. Am. Chem. Soc. 2002, 124, 15065.
16. (b) Jackson, T. A.; Karapetian, A.; Miller, A.-F.; Brunold, T. C. J. Am. Chem. Soc. 2004, 126, 12477.
17. Hsieh, Y.; Guan, Y.; Tu, C.; Bratt, P. J.; Angerhofer, A.; Lepock, J. R. ; Hickey, M. J.; Tainer, J. A.; Nick, H. S.; Silverman, D. N. Biochemistry 1998, 37, 4731.
18. (a) Li, J.; Fisher, C. L.; Konecny, R.; Bashford, D.; Noodleman, L. Inorg. Chem. 1999, 38, 929.
19. (b) Han, W.-G.; Lovell, T.; Noodleman, L. Inorg. Chem. 2002, 41, 205.
20. (c) Liu, X. H.; Sun, M.; Yue, J. J.; Yin, Y. X.; Liu, X. L.; Miao, F. M. J. Mol. Struct. 2003, 620, 227.
21. Carrasco, R.; Morgenstern-Badarau, I.; Cano, J. Chem. Commun. 2003, 436.
22. Renault, J. P.; Verchère-Béaur, C.; Morgenstern-Badarau, I.; Yamakura, F.; Gerloch, M. Inorg. Chem. 2000, 39, 2666.
23. (a) Castejón, H.; Hernández, A. J.; Ruette, F. J. Phys. Chem. 1988, 92, 4970.
24. (b) Huber, H.; Ozin, G. A. Can. J. Chem. 1972, 50, 3746.
25. (c) Hernández, A. J.; Ruette, F.; Ludeña, E. V. J. Mol. Catal. 1987, 39, 21.
26. (d) Valentine, J. S. Chem. Rev. 1973, 73, 235.
27. Rodriguez, J. A.; Abreu, I. A. J. Phys. Chem, B 2005, 109, 2754.
28. Silaghi-Dumitrescu, R.; Silaghi-Dumitrescu, I.; Coulter, E. D.; Kurtz, D. M. Inorg. Chem. 2003, 42, 446.
29. (a) Delley, B. J. Chem. Phys. 1990, 92, 508.
30. (b) Delley, B. J. Chem. Phys. 2000, 113, 7756.
31. Rodriguez, J. A.; Liu, P.; Dvorak, J.; Jirsak, T.; Gomes, J.; Takahashi, Y.; Nakamura, K. Surf. Sci. 2003, 543, L675;
32. Phys. Rev. B 2004, 69, 115414;
33. J. Chem. Phys. 2004, 121, 465.
34. Liu, P.; Rodriguez, J. A.; Hou, H.; Muckerman, J. T. J. Chem. Phys. 2003, 118, 7737.
35. (a) Maiti, A.; Rodriguez, J. A.; Law, M.; Kung, P.; McKinney, J. R.; Yang, P. Nano Lett. 2003, 3, 1025.
36. (b) Chandra, A. K.; Uchimaru, T. Int. J. Mol. Sci. 2002, 3, 407.
37. (a) Schneider, W. F.; Li, W. F.; Hass, K. C. J. Phys. Chem. B 2001, 105, 6972.
38. (b) Miletic, M.; Gland, J. L.; Schneider, W. F.; Hass, K. C. J. Phys. Chem. B 2003, 107, 157.
39. (c) Rodriguez, J. A.; Maiti, A. J. Phys. Chem. B 2000, 104, 3630.
40. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
41. Wang, Y.; Perdew, Y. P. Phys. Rev. B 1991, 44, 13298.
42. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1841.
43. (a) Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry; McGraw-Hill: New York, 1989.
44. (b) Wiberg, K. B.; Rablen, P. R. J. Comput. Chem. 1993, 14, 1504.
45. (a) Baik, M.-H.; Gherman, B. F.; Friesner, R. A.; Lippard, S. J. J. Am. Chem. Soc. 2002, 124, 14608.
46. (b) Hinnemann, B.; Nørskov, J. K. J. Am. Chem. Soc. 2004, 126, 3920;
47. J. Am. Chem. Soc. 2003, 125, 1466.
48. (c) Noodleman, L.; Lovell, T.; Han, W.-G.; Li, J.; Himo, F. Chem. Rev. 2004, 104, 459.
49. (d) Marx, D.; Tuckerman, M. E.; Hutter, J.; Parrinello, M. Nature 1999, 397, 601.
50. Borgstahl, G. E. O.; Parge, H. E.; Hickey, M. J.; Beyer, W. F.; Hallewell, R. A.; Tainer, J. A. Cell 1992, 71, 107.
51. Edwards, R. A.; Baker, H. M.; Whittaker, M. M.; Whittaker, J. W.; Jameson, G. B.; Baker, E. N. J. Biol. Inorg. Chem. 1998, 3, 161.
52. Schmidt, M.; Meier, B.; Parak, F. J. Biol. Inorg. Chem. 1996, 1, 532.
53. Kerfeld, C. A.; Yoshida, S.; Tran, K. T.; Yeates, T. O.; Cascio, D.; Bottin, H.; Berthoḿieu, C.; Sugiura, M.; Boussac, A. J. Biol. Inorg. Chem. 2003, 8, 707.
54. 3,6
55. Lange's Handbook of Chemistry, 13th ed.; Dean, J. A., Ed.; McGraw-Hill: New York, 1985; pp 5-39 and 5-59.
56. Bull, C.; Niederhoffer, E. C.; Yoshida, T.; Fee, J. A. J. Am. Chem. Soc. 1991, 113, 4069.
57. Guan, Y.; Hickey, M. J.; Borgstahl, G. E.; Hallewell, R. A.; Lepock, J. R.; O'Connor, D.; Hsieh, Y.; Nick, H. S.; Silverman, D. N.; Tainer, J. A. Biochemistry 1998, 37, 4722.
58. Miller, A.-F.; Sorkin, D. L.; Padmakumar, K. Biochemistry 2005, 44, 5969.
59. Abreu, I. A.; Cabelli, D. E. To be published. The loss of enzymatic activity with increasing pH is more dramatic for the E. coli MnSOD than for the human MnSOD.