Influence of the protein binding site on the excited states of bacteriochlorophyll: DFT calculations of B800 in LH2

Journal of Physical Chemistry B

Volumn 106, Issue 44, 2002, Pages 11606-11612

  He, Zhi ^a   Sundström, Villy ^a   Pullerits, Tõnu ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIOCHLOROPHYLL; PROTEIN BINDING SITES;

ABSORPTION SPECTROSCOPY; BACTERIA; CHARGE TRANSFER; COMPUTER SIMULATION; HYDROGEN BONDS; PIGMENTS; PROBABILITY DENSITY FUNCTION; PROTEINS;

CHLOROPHYLL;

EID: 0037038477     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020063z     Document Type: Article

References (37)

1. McDermott, G.; Prince, S.M.; Freer, A.A.; Hawthornthwaite-Lawless, A.M.; Papiz, M.Z.; Cogdell, R.J.; Isaacs, N.W. Nature (London) 1995, 374, 517.
2. Koepke, J.; Hu, X.; Muenke, C.; Schulten, K.; Michel, H. Structure 1996, 4, 581.
3. Beekman, L.M.P.; Frese, R.N.; Fowler, G.J.S.; Picorel, R.; Codell, R.J.; van Stokkum, I.H.M.; Hunter, C.N.; van Grondelle, R. J. Phys. Chem. B 1997, 101, 7293.
4. Reddy, N.R.S.; Wu, H.-M.; Jankowiak, R.; Picorel, R.; Codell, R.J.; Small, G.J. Photosynth. Res. 1996, 48, 277.
5. Olsen, J.D.; Sockalingum, G.D.; Robert, B.; Hunter, C.N. Proc. Natl. Acad. Sci. U.S.A. 1994, 91, 7124.
6. Fowler, G.J.S.; Sockalingum, G.D.; Robert, B.; Hunter, C.N. Biochem. J. 1994, 299, 697.
7. Sturgis, J.N.; Olsen, J.D.; Robert, B.; Hunter, C.N. Biochemistry 1997, 36, 2772.
8. Fowler, G.J.S.; Vischers, R.W.; Grief, G.G.; van Grondelle, R.; Hunter, C.N. Nature (London) 1992, 355, 848.
9. Gall, A.; Fowler, G.J.S.; Hunter, C.N.; Robert, B. Biochemistry 1997, 36, 16282.
10. Cogdell, R.J.; Isaacs, N.W.; Freer, A.A.; Arrelano, J.; Howard, T.D.; Papiz, M.Z.; Hawthornthwaite, A.M.; Prince, S. Prog. Biophys. Mol. Biol. 1997, 68, 1.
11. Hanson, L.K. In Chlorophylls; Scheer, H., Ed.; CRC Press: Boca Raton, F.L., 1991; pp 993-1014.
12. Parson, W.W.; Warshel, A. J. Am. Chem. Soc. 1987, 109, 6152.
13. Gudowsk-Nowak, E.; Newton, M.D.; Fajer, J. J. Phys. Chem. 1990, 94, 5795.
14. Louwe, R.J.W.; Vrieze, J.; Hoff, A.J.; Aartsma, T.J. J. Phys. Chem. B 1997, 101, 11280.
15. Fenna, R.E.; Matthews, B.W. Nature (London) 1975, 258, 573.
16. Scholes, G.D.; Gould, I.R.; Cogdell, R.J.; Fleming, G.R. J. Phys. Chem. B 1999, 103, 2543.
17. Hu, X.; Ritz, T.; Damjanovic, A.; Schulten, K. J. Phys. Chem. B 1997, 101, 3854.
18. Linnanto, J.; Korppi-Tommola, J.E.I.; Helenius, V.M. J. Phys. Chem. B 1999, 103, 8739.
19. Alden, R.G.; Nagarajan, V.; Parson, W.W.; Law, C.J.; Cogdell, R.G. J. Phys. Chem. B 1997, 101, 4667.
20. Becke, A.D. J. Chem. Phys. 1993, 98, 5648.
21. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M. W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
22. He, Z.; Sundström, V.; Pullerits, T. Chem. Phys. Lett. 2001, 334, 159.
23. Crystal, J.; Friesner, R.A. J. Phys. Chem. A 2000, 104, 2362.
24. Sundholm, D. Chem. Phys. Lett. 1999, 302, 480.
25. Linnanto, J.; Korppi-Tommola, J. J. Phys. Chem. A 2001, 105, 3855.
26. Petke, J.D.; Maggiora, G.M. J. Chem. Phys. 1986, 84, 1640.
27. Crielaard, W.; Visschers, R.W.; Fowler, G.J.S.; van Grondelle, R.; Hellingwerf, J.J.; Hunter, C.N. Biochim. Biophys. Acta 1994, 1183, 473.
28. Visschers, R.W.; Crielaard, W.; Fowler, G.J.S.; Hunter, C.N.; van Grondelle, R. Biochim. Biophys. Acta 1994, 1183, 483.
29. Sturgis, J.N.; Jirsakova, V.; Reiss-Husson, F., Cogdell, R.J.; Robert, B. Biochemistry 1995, 34, 517.
30. Billeter, M.; Schaumann, T.; Braun, W.; Wüthrich, K. Biopolymers 1990, 29, 695.
31. Fowler, G.J.S.; Hess, S.; Pullerits, T.; Sundström, V.; Hunter, C.N. Biochemistry 1997, 36, 11282.
32. Gouterman, M. J. Mol. Spectrosc. 1961, 6, 138.
33. Parusel, A.B.J.; Grimme, S. J. Phys. Chem. B 2000, 104, 5395.
34. Hsu, C.-P.; Walla, P.J.; Head-Gordon, M.; Fleming, G.R. J. Phys. Chem. B 2001, 105, 11016.
35. Herek, J.L.; Fraser, N.J.; Pullerits, T.; Martinsson, P.; Polivka, T.; Scheer, H.; Cogdell, R.J.; Sundström, V. Biophys. J. 2000, 78, 2590.
36. Hartwich, G.; Fiedor, L.; Simonin, I.; Cmiel, E.; Schäfer, W.; Noy, D.; Scherz, A.; Scheer, H. J. Am. Chem. Soc. 1998, 120, 3675.
37. Noy, D.; Yerushalmi, R.; Brumfeld, V.; Ashur, I.; Scheer, H.; Baldridge, K.K.; Scherz, A. J. Am. Chem. Soc. 2000, 122, 3937.