What external perturbations influence the electronic properties of catalase compound I?

Inorganic Chemistry

Volumn 45, Issue 23, 2006, Pages 9551-9557

  De Visser, Sam P ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALASE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; ELECTRON SPIN RESONANCE; METABOLISM; PROTEIN TERTIARY STRUCTURE;

BINDING SITES; CATALASE; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY;

EID: 33751277000     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic061019r     Document Type: Article

References (59)

1. (a) The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: San Diego, CA, 2000.
2. (b) Ortiz de Montellano, P. R., Ed. Cytochrome P450: Structure, Mechanism and Biochemistry, 3rd ed.; Kluwer Academic/Plenum Publishers: New York, 2004.
3. Nicholls, P.; Fita, I.; Loewen, P. C. Adv. Inorg. Chem. 2000, 51, 51-106.
4. Benecky, M. J.; Frew, J. E.; Scowen, N.; Jones, P.; Hoffman, B. M. Biochemistry 1993, 32, 11929-11933.
5. (a) Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. Nucleic Acids Res. 2000, 28, 235-242.
6. (b) Andreoletti, P.; Pernoud, A.; Sainz, G.; Gouet, P.; Jouve, H. M. Acta Crystallogr., Sect. D 2003, 59, 2163-2168.
7. (a) Dawson, J. H.; Holm, R. H.; Trudell, J. R.; Barth, G.; Linder, R. E.; Bunnenberg, E.; Djerassi, C.; Tang, S. C. J. Am. Chem. Soc. 1976, 98, 3707-3709.
8. (b) Poulos, T. L. J. Biol. Inorg. Chem. 1996, 1, 356-359.
9. For effects of the axial ligand on the reactivity of oxo-iron porphyrins, for example, see: (a) Gross, Z.; Nimri, S. Inorg. Chem. 1994, 33, 1731-1732.
10. (b) Gross, Z. J. Biol. Inorg. Chem. 1996, 1, 368-371.
11. (c) Nam, W.; Lim, M. H.; Oh, S.-Y.; Lee, J. H.; Lee, H. J.; Woo, S. K.; Kim, C.; Shin, W. Angew. Chem., Int. Ed. 2000, 39, 3646-3649.
12. (d) Song, W. J.; Ryu, Y. O.; Song, R.; Nam, W. J. Biol. Inorg. Chem. 2005, 10, 294-304.
13. (a) Green, M. T.; Dawson, J. H.; Gray, H. B. Science 2004, 304, 1653-1656.
14. (b) Ogliaro, F.; de Visser, S. P.; Shaik, S. J. Inorg. Biochem. 2002, 91, 554-567.
15. (a) Loew, G. H.; Harris, D. L. Chem. Rev. 2000, 100, 407-419.
16. (b) Harris, D. L. Curr. Opin. Chem. Biol. 2001, 5, 724-735.
17. (c) Shaik, S.; Kumar, D.; de Visser, S. P.; Altun, A.; Thiel, W. Chem. Rev. 2005, 105, 2279-2328.
18. Rydberg, P.; Sigfridsson, E.; Ryde, U. J. Biol. Inorg. Chem. 2004, 9, 203-223.
19. Green, M. T. J. Am. Chem. Soc. 2001, 123, 9218-9219.
20. (a) Rovira, C.; Fita, I. J. Phys. Chem. B 2003, 107, 5300-5305.
21. (b) Loewen, P. C.; Carpena, X.; Rovira, C.; Ivancich, A.; Perez-Luque, R.; Haas, R.; Odenbreit, S.; Nicholls, P.; Fita, I. Biochemistry 2004, 43, 3089-3103.
22. (a) Ogliaro, F.; Cohen, S.; de Visser, S. P.; Shaik, S. J. Am. Chem. Soc. 2000, 122, 12892-12893.
23. (b) de Visser, S. P.; Shaik, S.; Sharma, P. K.; Kumar, D.; Thiel, W. J. Am. Chem. Soc. 2003, 125, 15779-15788.
24. (c) Shaik, S.; de Visser, S. P.; Kumar, D. J. Am. Chem. Soc. 2004, 126, 11746-11749.
25. (d) de Visser, S. P. J. Phys. Chem. A 2005, 109, 11050-11057.
26. de Visser, S. P.; Shaik, S. J. Am. Chem. Soc. 2003, 125, 7413-7424.
27. (a) Sharma, P. K.; de Visser, S. P.; Shaik, S. J. Am. Chem. Soc. 2003, 125, 8698-8699.
28. (b) Kumar, D.; de Visser, S. P.; Sharma, P. K.; Hirao, H.; Shaik, S. Biochemistry 2005, 44, 8148-8158.
29. (a) de Visser, S. P.; Ogliaro, F.; Sharma, P. K.; Shaik, S. Angew. Chem., Int. Ed. 2002, 41, 1947-1951.
30. (b) de Visser, S. P.; Ogliaro, F.; Sharma, P. K.; Shaik, S. J. Am. Chem. Soc. 2002, 124, 11809-11826.
31. (c) Kumar, D.; de Visser, S. P.; Shaik, S. Chem. - Eur. J. 2005, 11, 2825-2835.
32. Shaik, S.; de Visser, S. P.; Ogliaro, F.; Schwarz, H.; Schröder, D. Curr. Opin. Chem. Biol. 2002, 6, 556-567.
33. Suydam, I. T.; Snow, C. D.; Pande, V. S.; Boxer, S. G. Science 2006, 313, 200-204.
34. (a) Simonson, W. Curr. Opin. Struct. Biol. 2001, 11, 243-252.
35. (b) Warshel, A.; Papazyan, A. Curr. Opin. Struct. Biol. 1998, 8, 211-217.
36. (a) Afanasyeva, M. S.; Taraban, M. B.; Purtov, P. A.; Leshina, T. V.; Grissom, C. B. J. Am. Chem. Soc. 2006, 128, 8651-8658.
37. (b) Jones, A. R.; Scrutton, N. S.; Woodward, J. R. J. Am. Chem. Soc. 2006, 128, 8408-8409.
38. (a) de Visser, S. P. J. Biol. Inorg. Chem. 2006, 11, 168-178.
39. (b) de Visser, S. P. Angew. Chem., Int. Ed. 2006, 45, 1790-1793.
40. (c) de Visser, S. P. J. Am. Chem. Soc. 2006, 128, 9813-9824.
41. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
42. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
43. (c) Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299-310.
44. Jaguar 5.5; Schrödinger, Inc.: Portland, OR, 2000.
45. Frisch, M. J.; et al. Gaussian-98; Gaussian Inc.: Pittsburgh, PA, 1998 (see the Supporting Information).
46. Ogliaro, F.; de Visser, S. P.; Cohen, S.; Kaneti, J.; Shaik, S. ChemBioChem. 2001, 848-851.
47. Ogliaro, F.; de Visser, S. P.; Groves, J. T.; Shaik, S. Angew. Chem., Int. Ed. 2001, 40, 2874-2878.
48. (a) Green, M. T. J. Am. Chem. Soc. 1998, 120, 10772-10773.
49. (b) Green, M. T. J. Am. Chem. Soc. 1999, 121, 7939-7940.
50. (c) Green, M. T. J. Am. Chem. Soc. 2000, 122, 9495-9499.
51. Chuang, W.-J.; Van Wart, H. E. J. Biol. Chem. 1992, 267, 13293-13301.
52. Ghosh, A. Acc. Chem. Res. 1998, 31, 189-198.
53. (a) Chance, B.; Powers, L.; Ching, Y.; Poulos, T. L.; Schonbaum, G. R.; Yamazaki, I.; Paul, K. G. Arch. Biochem. Biophys. 1984, 235, 596-611.
54. (b) Penner-Hahn, J. E.; Smith Eble, K.; McMurry, T. J.; Renner, M.; Balch, A. L.; Groves, J. T.; Dawson, J. H.; Hodgson, K. O. J. Am. Chem. Soc. 1986, 108, 7819-7825.
55. (c) Berglund, G. I.; Carlsson, G. H.; Smith, A. T.; Szöke, H.; Henriksen, A.; Hajdu, J. Nature (London) 2002, 417, 463-468.
56. de Visser, S. P.; Kumar, D.; Cohen, S.; Shacham, R.; Shaik, S. J. Am. Chem. Soc. 2004, 126, 8362-8363.
57. Yoshizawa, K.; Kagawa, Y.; Shiota, Y. J. Phys. Chem. B 2000, 104, 12365-12370.
58. Wirstam, M.; Blomberg, M. R. A.; Siegbahn, P. E. M. J. Am. Chem. Soc. 1999, 121, 10178-10185.
59. Deeth, R. J. J. Am. Chem. Soc. 1999, 121, 6074-6075.