Native hydrogen bonding network of the photoactive yellow protein (PYP) chromophore: Impact on the electronic structure and photoinduced isomerization

Journal of Photochemistry and Photobiology A: Chemistry

Volumn 234, Issue , 2012, Pages 123-134

  Gromov, Evgeniy V ^a,b   Burghardt, Irene ^c   Köppel, Horst ^a   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b IRKUTSK STATE UNIVERSITY   (Russian Federation)

^c GOETHE UNIVERSITY   (Germany)

Author keywords

Ab initio; Coupled cluster; Excited states; Hydrogen bonds; PES; Photoactive yellow protein; PYP chromophore; Trans cis isomerization

Indexed keywords

EID: 84859557946     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2012.01.007     Document Type: Article

References (59)

1. Hoff W.D., Kang Z., Kumauchi M., and Xie A. Han K.-L. Zhao G.-J. Hydrogen Bonding and Transfer in the Excited State vols. I and II 2011 John Wiley & Sons, Ltd. 839 855
2. Sprenger W.W., Hoff W.D., Armitage J.P., and Hellingwerf K.J. J. Bacteriol. 175 1993 3096
3. Meyer T.E., Tollin G., Hazzard J.H., and Cusanovich M.A. Biophys. J. 56 1989 559
4. Getzoff E.D., Gutwin K.N., and Genick U.K. Nat. Struct. Biol. 10 2003 663
5. Genick U.K., Soltis S.M., Kuhn P., Canestrelli I.L., and Getzoff E.D. Nature 392 1998 206
6. Borgstahl G.E.O., Williams D.R., and Getzoff E.D. Biochemistry 34 1995 6278
7. Baca M., Borgstahl G.E.O., Boissinot M., Burke P.M., Williams D.R., Slater K.A., and Getzoff E.D. Biochemistry 33 1994 14369
8. Kort R., Vonk H., Xu X., Hoff W.D., Crielaard W., and Hellingwerf K.J. FEBS Lett. 382 1996 73
9. Yoshizawa T., and Kuwata O. Horspool W.M. Song P. CRC Handbook of Organic Photochemistry and Photobiology 1995 CRC Press New York 1493
10. Larsen D.S., and van Grondelle R. ChemPhysChem 6 2005 828
11. Changenet-Barret P., Espagne A., Plaza P., Hellingwerf K.J., and Martin M.M. New J. Chem. 29 2005 527
12. Kyndt J.A., Meyer T.E., and Cusanovich M.A. Photochem. Photobiol. Sci. 3 2004 519
13. Mataga N., Chosrowjan H., and Taniguchi S. J. Photochem. Photobiol. C: Photochem. Rev. 5 2004 155
14. Hellingwerf K.J., Hendriks J., and Gensch T. J. Phys. Chem. A 107 2003 1082
15. Cusanovich M.A., and Meyer T.E. Biochemistry 42 2003 4759
16. Changenet-Barret P., Loukou C., Ley C., Lacombat F., Plaza P., Mallet J.-M., and Martin M.M. Phys. Chem. Chem. Phys. 12 2010 13715
17. Changenet-Barret P., Plaza P., Martin M.M., Chosrowjan H., Taniguchi S., Mataga N., Imamoto Y., and Kataoka M. J. Phys. Chem. C 113 2009 11605
18. Changenet-Barret P., Plaza P., Martin M.M., Chosrowjan H., Taniguchi S., Mataga N., Imamoto Y., and Kataoka M. Chem. Phys. Lett. 434 2007 320
19. van Wilderen L.J.G.W., van Der Horst M.A., van Stokkum I.H.M., Hellingwerf K.J., van Grondelle R., and Groot M.L. Proc. Natl. Acad. Sci. U. S. A. 103 2006 15050
20. Lee I., Lee W., and Zewail A.H. Proc. Natl. Acad. Sci. U. S. A. 103 2006 258
21. Heyne K., Mohammed O.F., Usman A., Dreyer J., Nibbering E., and Cusanovich M.A. J. Am. Chem. Soc. 127 2005 18100
22. El-Gezawy H., Rettig W., Danel A., and Jonusauskas G. J. Phys. Chem. B 109 2005 18699
23. Changenet-Barret P., Espagne A., Charier S., Baudin J.-B., Jullien L., Plaza P., Hellingwerf K.J., and Martin M.M. Photochem. Photobiol. Sci. 3 2004 823
24. Gromov E.V., Burghardt I., Köppel H., and Cederbaum L.S. J. Phys. Chem. A 115 2011 9237
25. Wang Y., and Li H. J. Chem. Phys. 133 2010 34108
26. Coto P.B., Roca-Sanjuán D., Serrano-Andrés L., Martín-Pendás A., Martí S., and Andrés J. J. Chem. Theory Comput. 5 2009 3032
27. Boggio-Pasqua M., Robb M.A., and Groenhof G. J. Am. Chem. Soc. 131 2009 13580
28. Virshup A., Punwong C., Pogorelov T.V., Lindquist B.A., Ko C., and Martínez T.J. J. Phys. Chem. B 113 2009 3280
29. Groenhof G., Schäfer L.V., Boggio-Pasqua M., Grubmüller H., and Robb M.A. J. Am. Chem. Soc. 130 2008 3250
30. Ko C., Virshup A.M., and Martínez T.J. Chem. Phys. Lett. 460 2008 272
31. Gromov E.V., Burghardt I., Hynes J.T., Köppel H., and Cederbaum L.S. J. Photochem. Photobiol. A 190 2007 241
32. Groenhof G., Bouxin-Cademartory M., Hess B., de Visser S.P., Berendsen H.J.C., Olivucci M., Mark A.E., and Robb M.A. J. Am. Chem. Soc. 126 2004 4228
33. Philip A.F., Eisenman K.T., Papadantonakis G.A., and Hoff W.D. Biochemistry 47 2008 13800
34. Mataga N., Chosrowjan H., Shibata Y., Imamoto Y., and Tokunaga F. J. Phys. Chem. B 104 2000 5191
35. Chosrowjan H., Mataga N., Shibata Y., Imamoto Y., and Tokunaga F. J. Phys. Chem. B 102 1998 7695
36. Genick U.K., Borgstahl G.E.O., Kingman N., Ren Z., Pradervand C., Burke P.M., Šrajer V., Teng T.-Y., Schildkamp W., and McRee D.E. Science 275 1997 1471
37. Espagne A., Paik D.H., Changenet-Barret P., Plaza P., Martin M.M., and Zewail A.H. J. Photochem. Photobiol. Sci. 6 2007 780
38. Espagne A., Changenet-Barret P., Baudin J., Plaza P., and Martin M.M. J. Photochem. Photobiol. A 185 2007 242
39. Espagne A., Changenet-Barret P., Plaza P., and Martin M.M. J. Phys. Chem. A 110 2006 3393
40. Espagne A., Paik D.H., Changenet-Barret P., Martin M.M., and Zewail A.H. ChemPhysChem 7 2006 1717
41. Mizuno M., Kamikubo H., Kataoka M., and Mizutani Y. J. Phys. Chem. B 115 2011 9306
42. Sigala P.A., Tsuchida M.A., and Herschlag D. Proc. Natl. Acad. Sci. U. S. A. 106 2009 9232
43. Yamaguchi S., Kamikubo H., Kurihara K., Kuroki R., Niimura N., Shimizu N., Yamazaki Y., and Kataoka M. Proc. Natl. Acad. Sci. U. S. A. 109 2009 440
44. van Wilderen L.J.G.W., van Stokkum I.H.M., van Grondelle R., van Der Horst M.A., Hellingwerf K.J., and Groot M.L. Springer Ser. Chem. Phys. 88 2007 456
45. Kennis J.T.M., and Groot M.-L. Curr. Opin. Struct. Biol. 88 2007 453
46. Mohammed O.F., Heyne K., Usman A., Dreyer J., Nibbering E.T.J., and Cusanovich M.A. Springer Ser. Chem. Phys. 88 2007 453
47. Okamoto K., Hamada N., Okamura T.-A., Ueyama N., and Yamamoto H. J. Chem. Phys. 134 2011 034310
48. Gromov E.V., Burghardt I., Köppel H., and Cederbaum L.S. J. Am. Chem. Soc. 129 2007 6798
49. Stahl A.D., Hospes M., Singhal K., van Stokkum I., van Grondelle R., Groot M.L., and Hellingwerf K.J. Biophys. J. 101 2011 1184
50. Christiansen O., Koch H., and Jørgensen P. Chem. Phys. Lett. 243 1995 409
51. Wolfram Research, Inc., Mathematica, Version 6.0, Champaign, IL, 2007.
52. Dunning T.H. J. Chem. Phys. 90 1989 1007
53. Eichkorn H.O.K., Treutler O., Häser M., and Ahlrichs R. Chem. Phys. Lett. 240 1995 283
54. Vahtras O., Almlöf J., and Feyereisen M.W. Chem. Phys. Lett. 213 1993 514
55. Ahlrichs R., Bär M., Häser M., Horn H., and Kölmel C. Chem. Phys. Lett. 162 1989 165
56. von Niessen W., Schirmer J., and Cederbaum L.S. Comput. Phys. Rep. 1 1984 57
57. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Scalmani G., Barone V., Mennucci B., and Petersson G.A. Gaussian 09 Revision b.01 2010 Gaussian, Inc. Wallingford, CT
58. Coureux P.-D., Fan Z.P., Stojanoff V., and Genick U.K. Structure 16 2008 863
59. Anderson S., Šrajer V., and Moffat K. Photochem. Photobiol. 80 2004 7