Two proton-one electron coupled transfer in iron and manganese superoxide dismutases: A density functional study

Inorganica Chimica Acta

Volumn 360, Issue 1, 2007, Pages 91-101

  Carrasco, Rosa ^a,b   Morgenstern Badarau, Irène ^b   Cano, Joan ^a,b,c  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITÉ PARIS SUD   (France)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Charge transfer; Density functional calculations; Enzyme catalysis; Iron; Manganese; Oxidoreductases; Proton electron coupled transfer; Superoxide dismutases; Time dependent DFT

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ENZYMES; IRON; MANGANESE; MANGANESE COMPOUNDS; METAL IONS; MOLECULES; TRANSITION METALS;

COUPLED TRANSFERS; ENZYME CATALYSIS; OXIDO-REDUCTASES; SUPEROXIDE DISMUTASES; TIME-DEPENDENT DFT;

IRON COMPOUNDS;

EID: 33751530269     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2006.07.080     Document Type: Article

References (81)

1. Fridovich I. Annu. Rev. Biochem. 64 (1995) 97
2. Thauer R.K., Klein A.R., and Hartmann G.C. Chem. Rev. 96 (1996) 3031
3. Page C.C., Moser C.C., Chen X.X., and Dutton P.L. Nature 402 (1999) 47
4. Zouni A., Witt H.T., Kern J., Fromme P., Krauss N., Saenger W., and Orth P. Nature 409 (2001) 739
5. Loll B., Kern J., Saenger W., Zouni A., and Biesiadka J. Nature 438 (2005) 1040
6. Costas M., Mehn M.P., Jensen M.P., and Que L. Chem. Rev. 104 (2004) 939
7. Keele B.B., McCord J.M., and Fridovic I. J. Biol. Chem. 245 (1970) 6176
8. Weisiger R.A., and Fridovic I. J. Biol. Chem. 248 (1973) 4793
9. Ose D.E., and Fridovich I. J. Biol. Chem. 251 (1976) 1217
10. McCord J.M., and Fridovich I. Free Radical Biol. Med. 5 (1988) 363
11. Halliwell B., and Gutteridge J.M.C. Free Radical Biology and Medicine (1989), Oxford University Press, New York
12. Bannister J.V., Bannister W.H., and Rotilio G. CRC Crit. Rev. Biochem. 22 (1987) 111
13. Murohara Y., Yui Y., Hattori R., and Kawai C. Am. J. Cardiol. 67 (1991) 765
14. Riley D.P. Chem. Rev. 99 (1999) 2573
15. Fridovich I. Adv. Enzymol. 58 (1986) 61
16. Fridovich I. J. Biol. Chem. 272 (1997) 18515
17. Miller A.F., Padmakumar K., Sorkin D.L., Karapetian A., and Vance C.K. J. Inorg. Biochem. 93 (2003) 71
18. Cabelli D.E., Riley D., and Packer L. In: Meunier B. (Ed). Biomimetic Oxidations Catalyzed by Transition Metal Complexes (2000), Imperial College Press, London 461
19. Bull C., and Fee J.A. J. Am. Chem. Soc. 107 (1985) 3295
20. Fee J.A., and Bull C. Biochemistry 24 (1985) 3377
21. Bull C., Niederhoffer E.C., Yoshida T., and Fee J.A. J. Am. Chem. Soc. 113 (1991) 4069
22. Jackson T.A., Karapetian A., Miller A.F., and Brunold T.C. J. Am. Chem. Soc. 126 (2004) 12477
23. Getzoff E.D., Cabelli D.E., Fisher C.L., Parge H.E., Viezzoli M.S., Banci L., and Hallewell R.A. Nature 358 (1992) 347
24. D'Alessandro M., Aschi M., Paci M., Di Nola A., and Amadei A. J. Phys. Chem. B 108 (2004) 16255
25. Leveque V.J.P., Stroupe M.E., Lepock J.R., Cabelli D.E., Tainer J.A., Nick H.S., and Silverman D.N. Biochemistry 39 (2000) 7131
26. Youn H.D., Kim E.J., Roe J.H., Hah Y.C., and Kang S.O. Biochem. J. 318 (1996) 889
27. Palenik B., Brahamsha B., Larimer F.W., Land M., Hauser L., Chain P., Lamerdin J., Regala W., Allen E.E., McCarren J., Paulsen I., Dufresne A., Partensky F., Webb E.A., and Waterbury J. Nature 424 (2003) 1037
28. Lah M.S., Dixon M.M., Pattridge K.A., Stallings W.C., Fee J.A., and Ludwig M.L. Biochemistry 34 (1995) 1646
29. Han W.G., Lovell T., and Noodleman L. Inorg. Chem. 41 (2002) 205
30. Renault J.P., Verchere-Beaur C., Morgenstern-Badarau I., Yamakura F., and Gerloch M. Inorg. Chem. 39 (2000) 2666
31. Stein J., Fackler J.P., McClune G.J., Fee J.A., and Chan L.T. Inorg. Chem. 18 (1979) 3511
32. Bull C., and Fee J.A. Biochemistry 24 (1985) 3378
33. Jackson T.A., Karapetian A., Miller A.F., and Brunold T.C. Biochemistry 44 (2005) 1504
34. Abreu I.A., Rodriguez J.A., and Cabelli D.E. J. Phys. Chem. B 109 (2005) 24502
35. Ludwig M.L., Metzger A.L., Pattridge K.A., and Stallings W.C. J. Mol. Biol. 219 (1991) 335
36. Edwards R.A., Baker H.M., Whittaker M.M., Whittaker J.W., Jameson G.B., and Baker E.N. J. Biol. Inorg. Chem. 3 (1998) 161
37. Jackson T.A., Yikilmaz E., Miller A.F., and Brunold T.C. J. Am. Chem. Soc. 125 (2003) 8348
38. R. Carrasco, I. Morgenstern-Badarau, unpublished results.
39. Fisher C.L., Chen J.L., Li J., Bashford D., and Noodleman L. J. Phys. Chem. 100 (1996) 13498
40. Whittaker M.M., and Whittaker J.W. Biochemistry 35 (1996) 6762
41. Whittaker J.W., and Whittaker M.M. J. Am. Chem. Soc. 113 (1991) 5528
42. Whittaker M.M., Ekberg C.A., Edwards R.A., Baker E.N., Jameson G.B., and Whittaker J.W. J. Phys. Chem. B 102 (1998) 4668
43. Whittaker M.M., Mizuno K., Bachinger H.P., and Whittaker J.W. Biophys. J. 90 (2006) 598
44. Mizuno K., Whittaker M.M., Bachinger H.P., and Whittaker J.W. J. Biol. Chem. 279 (2004) 27339
45. Jameson G.B., Edwards R.A., Anderson B.F., Adams J.J., Hempstead P.D., Morgenstern-Badarau I., Whittaker J.W., Whittaker M.M., and Baker E.N. J. Inorg. Biochem. 86 (2001) 59
46. Li J., Fisher C.L., Konecny R., Lovell T., Bashford D., and Noodleman L. J. Inorg. Biochem. 74 (1999) 212
47. Barra D., Schinina M.E., Bannister W.H., Bannister J.V., and Bossa F. J. Biol. Chem. 262 (1987) 1001
48. Barra D., Schinina M.E., Simmaco M., Bannister J.V., Bannister W.H., Rotilio G., and Bossa F. J. Biol. Chem. 259 (1984) 2595
49. Jackson T.A., Xie J., Yikilmaz E., Miller A.F., and Brunold T.C. J. Am. Chem. Soc. 124 (2002) 10833
50. Yikilmaz E., Xie J., Brunold T.C., and Miller A.F. J. Am. Chem. Soc. 124 (2002) 3482
51. Hearn A.S., Tu C.K., Nick H.S., and Silverman D.N. J. Biol. Chem. 274 (1999) 24457
52. Hearn A.S., Stroupe M.E., Cabelli D.E., Lepock J.R., Tainer J.A., Nick H.S., and Silverman D.N. Biochemistry 40 (2001) 12051
53. Hearn A.S., Stroupe M.E., Cabelli D.E., Ramilo C.A., Luba J.P., Tainer J.A., Nick H.S., and Silverman D.N. Biochemistry 42 (2003) 2781
54. Yikilmaz E., Rodgers D.W., and Miller A.F. Biochemistry 45 (2006) 1151
55. Gray H.B., and Winkler J.R. In: Balzani V., Gray H.B., and Winkler J.R. (Eds). Electron Transfer in Chemistry (2001), Wiley-VCH, Weinheim
56. Tommos C., and Babcock G.T. Biochim. Biophys. Acta 1458 (2000) 199
57. Cukier R.I. J. Phys. Chem. B 106 (2002) 1746
58. Ferguson-Miller S., and Babcock G.T. Chem. Rev. 96 (1996) 2889
59. Hoganson C.W., and Babcock G.T. Science 277 (1997) 1953
60. Becke A.D. Phys. Rev. A 38 (1988) 3098
61. Lee C.T., Yang W.T., and Parr R.G. Phys. Rev. B 37 (1988) 785
62. Becke A.D. J. Chem. Phys. 98 (1993) 5648
63. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J. Montgomery, J.A., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, In gaussian 03, Revision C.02 ed., Gaussian Inc., Wallingford CT, 2004.
64. Schäfer A., Horn H., and Ahlrichs R. J. Chem. Phys. 97 (1992) 2571
65. Schäfer A., Huber C., and Ahlrichs R. J. Chem. Phys. 100 (1994) 5829
66. Ruiz E., Cano J., Alvarez S., and Alemany P. J. Comput. Chem. 20 (1999) 1391
67. Ruiz E., Alvarez S., Rodríguez-Fortea A., Alemany P., Puoillon Y., and Massobrio C. In: Miller J.S., and Drillon M. (Eds). Magnetism: Molecules to Materials vol. II (2001), Wiley-VCH, Weinheim 5572
68. Ruiz E., Rodriguez-Fortea A., Cano J., Alvarez S., and Alemany P. J. Comput. Chem. 24 (2003) 982
69. Weinhold F., and Carpenter J.E. J. Mol. Struct. 42 (1988) 189
70. Weinhold F., and Carpenter J.E. The Structure of Small Molecules and Ions (1988), Plenum
71. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
72. Casida M.E., Jamorski C., Casida K.C., and Salahub D.R. J. Chem. Phys. 108 (1998) 4439
73. Carrasco R., Morgenstern-Badarau I., and Cano J. Chem. Commun. (2003) 436
74. Niederhoffer E.C., Fee J.A., Papaefthymiou V., and Munck E. Annu. Rev. Biochem. (1987) 79
75. Maliekal J., Karapetian A., Vance C., Yikilmaz E., Wu Q., Jackson T., Brunold T.C., Spiro T.G., and Miller A.F. J. Am. Chem. Soc. 124 (2002) 15064
76. Noodleman L., Lovell T., Han W.G., Li J., and Himo F. Chem. Rev. 104 (2004) 459
77. Bacquet R.J., McCammon J.A., and Allison S.A. J. Phys. Chem. 92 (1988) 7134
78. Sines J., Allison S., Wierzbicki A., and McCammon J.A. J. Phys. Chem. 94 (1990) 959
79. Whittaker M.M., and Whittaker J.W. Biochemistry 36 (1997) 8923
80. Ortiz de Montellano P.R. In: Ortiz de Montellano P.R. (Ed). Oxygen Activation and Reactivity in Cytochrome P450: Structure, Mechanism and Biochemistry (1996), Plenum Press, New York 245
81. Harris D.L., and Loew G.H. J. Am. Chem. Soc. 120 (1998) 8941