1H, 13C and 17O isotropic and anisotropic hyperfine coupling prediction for the tyrosyl radical using hybrid density functional methods

Biochimica et Biophysica Acta - Bioenergetics

Volumn 1320, Issue 1, 1997, Pages 65-72

  O'Malley, Patrick J ^a   Ellson, Darryl ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Anisotropic hyperfine coupling; Electron nuclear double resonance; EPR; Isotropic hyperfine coupling; Tyrosyl radical

Indexed keywords

TRYPTOPHAN; TRYPTOPHAN DERIVATIVE;

AMINO ACID ANALYSIS; ARTICLE; CALCULATION; DRUG STRUCTURE; ELECTRON SPIN RESONANCE; ELECTRON TRANSPORT; HYDROGEN BOND; ISOTOPE LABELING; PRIORITY JOURNAL; THEORY;

EID: 0030998297     PISSN: 00052728     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0005-2728(97)00013-3     Document Type: Article

References (19)

1. Debus, R.J., Barry, B.A., Babcock, G.T. and McIntosh, L. (1988) Proc. Natl. Acad. Sci. USA 85, 427-430.
2. Wagner, A.F.V., Frey, M., Neugerbaur, F.A. and Schafer, W. (1992) Proc. Natl. Acad. Sci. USA 89, 996-1000.
3. Rigby, S.E.J., Nugent, J.H.A and O'Malley, P.J. (1994) Biochemistry 33, 1734-1741.
4. Bender, C.J., Sahlin, M., Babcock, G.T., Barry, B.A., Chandrashekar, T.K., Salowe, S.P., Lindstrom, B., Peterson, L., Ehrenberg, A. and Sjoberg, B.-M. (1989) J. Am. Chem. Soc. 111, 8076-8092Hoganson, C.W., Sahlin, M., Sjoberg, B.-M. and Babcock, G.T. (1996) J. Am. Chem. Soc. 118, 4672-4679.
5. Bender, C.J., Sahlin, M., Babcock, G.T., Barry, B.A., Chandrashekar, T.K., Salowe, S.P., Lindstrom, B., Peterson, L., Ehrenberg, A. and Sjoberg, B.-M. (1989) J. Am. Chem. Soc. 111, 8076-8092Hoganson, C.W., Sahlin, M., Sjoberg, B.-M. and Babcock, G.T. (1996) J. Am. Chem. Soc. 118, 4672-4679.
6. Smith, W.L., Eling, T.E., Kulmacz, R.J., Marrott, L.J. and Tsai, A.L. (1992) Biochemistry 31. 3-7.
7. Whittaker, M.M and Whittaker, J.W. (1990) J. Biol. Chem. 265, 9610-9613.
8. Jones, S.M., Mu, D., Wemms, D., Smith, A.J., Kaus, S., Maltby, D., Burlingame, A.L. and Kinman, J.P. (1990) Science 248, 981-987.
9. O'Malley, P.J., MacFarlane, A.J., Rigby, S.E.J. and Nugent, J.H.A. (1995) Biochim Biophys Acta 1232, 175-179.
10. O'Malley, P.J. and MacFarlane, A.J. (1992) J. Mol. Structure (THEOCHEM) 277, 293-300.
11. Adamo, C., Barone, V. and Fortunelli, A. (1995) J. Chem. Phys. 102, 384-390.
12. O'Malley, P.J. and Collins, S.J. (1996) Chem. Phys. Lett. 259, 296-300.
13. O'Malley, P.J. and Ellson, D.A. (1996) Chem. Phys. Lett. 260, 492-498.
14. Hulsebosch, R.J., van den Brink, J.S., Hoff, A.J., Nieuwenhuis, S.A.M., Raap, J. and Lugtenburg, J. (1995) Photosynthesis: From Light to Biosphere, Vol. II, P. Mathis (ed.), Kluwer Academic Publishers, Dordrecht, pp. 255-258.
15. Kirste, B. (1982) J. Magn. Res. 62, 242-250.
16. Frey, M.N., Koetzle, T.F., Lehmann, M.S., Hamilton, W.C. (1973) J. Chem. Phys. 58, 2547-2556.
17. Fasanella, E.L., Gordy, W. (1969) Proc. Natl. Acad. Sci (USA) 62, 299-304.
18. Nordlund, P., Eklund, H. (1993) J. Mol. Biol. 232, 123-133.
19. Diner, B.A., Tang, X.-S., Zheng, M., Dismukes, G.C., Force, D.A., Randall, D.W and Britt, R.D. (1995) Photosynthesis: From Light to Biosphere, Vol. II, P. Mathis (ed.), Kluwer Academic Publishers, Dordrecht, pp. 200-203.