Ab initio quantum-chemical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method

Chemical Physics Letters

Volumn 472, Issue 1-3, 2009, Pages 118-123

  Tagami, Ayumu ^a   Ishibashi, Nobuhiro ^a   Kato, Dai ichiro ^b   Taguchi, Naoki ^c   Mochizuki, Yuji ^c,d   Watanabe, Hirofumi ^a,d   Ito, Mika ^a,d   Tanaka, Shigenori ^a,d  

^a KOBE UNIVERSITY   (Japan)

^b HYOGO UNIVERSITY   (Japan)

^c RIKKYO UNIVERSITY   (Japan)

^d JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; EMISSION SPECTROSCOPY; LIGHT EMISSION; MOLECULAR MODELING; MOLECULAR ORBITALS; PHOSPHORESCENCE; PLANTS (BOTANY);

AB-INITIO; BIOLUMINESCENCE SPECTRUM; COLOR TUNING; EMISSION ENERGIES; EMISSION SPECTRUMS; EXCITED-STATE; FRAGMENT MOLECULAR ORBITAL METHODS; INFORMATION CONCERNING; MULTI LAYERS; MUTANT LUCIFERASE; WILD TYPES;

BIOLUMINESCENCE;

EID: 62949085602     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.02.076     Document Type: Article

References (36)

1. Hastings J.W. Gene 173 (1996) 5
2. Wood K.V. Photochem. Photobiol. 62 (1995) 662
3. Contag C.H., et al. Photochem. Photobiol. 66 (1997) 523
4. Nogawa M., et al. J. Clin. Invest. 115 (2005) 978
5. Kajiyama N., and Nakano E. Protein Eng. 4 (1991) 691
6. White E.H., Rapaport E., Seliger H.H., and Hopkins T.A. Bioorg. Chem. 1 (1971) 92
7. McCapra F., Gilfoyle D.J., Young D.W., Church N.J., and Spencer P. In: Campbell A.K., Krick L.J., and Stanley P.E. (Eds). Bioluminescence and Chemiluminescence: Fundamentals and Applied Aspects (1994), John Wiley and Sons, Chichester 387
8. Branchini B.R., Southworth T.L., Murtiashaw M.H., Magyar R.A., Gonzalez S.A., Ruggiero M.C., and Stroh J.G. Biochemistry 43 (2004) 7255
9. Orlova G., Goddard J.D., and Brovko L.Y. J. Am. Chem. Soc. 125 (2003) 6962
10. Conti E., Franks N.P., and Brick P. Structure 4 (1996) 287
11. Nakatsu T., Ichiyama S., Hiratake J., Saldanha A., Kobashi N., Sakata K., and Kato H. Nature 440 (2006) 372
12. Nakatani N., Hasegawa J., and Nakatsuji H. J. Am. Chem. Soc. 129 (2007) 8756
13. Nakatani N., Hasegawa J., and Nakatsuji H. Chem. Phys. Lett. 469 (2009) 191
14. Liu Y.-J., De Vico L., and Lindh R. J. Photochem. Photobiol. A 194 (2008) 261
15. Kitaura K., Ikeo E., Asada T., Nakano T., and Uebayasi M. Chem. Phys. Lett. 313 (1999) 701
16. Kitaura K., Sawai T., Asada T., Nakano T., and Uebayasi M. Chem. Phys. Lett. 312 (1999) 319
17. Nakano T., Kaminuma T., Sato T., Akiyama Y., Uebayashi M., and Kitaura K. Chem. Phys. Lett. 318 (2000) 614
18. Fedorov D.G., and Kitaura K. J. Phys. Chem. A 111 (2007) 6904
19. Mochizuki Y., et al. Theor. Chem. Acc. 117 (2007) 541
20. Head-Gordon M., Rico R.J., Oumi M., and Lee T.J. Chem. Phys. Lett. 219 (1994) 21
21. Mochizuki Y., Nakano T., Amari S., Ishikawa T., Tanaka K., Sakurai M., and Tanaka S. Chem. Phys. Lett. 433 (2007) 360
22. Taguchi N., et al. J. Phys. Chem. B 113 (2009) 1153
23. Branchini B.R., Murtiashaw M.H., Carmody J.N., Mygatt E.E., and Southworth T.L. Bioorg. Med. Chem. Lett. 15 (2005) 3860
24. Molecular Operating Environment (MOE) ver. 2005.06, Chemical Computing Group, Montreal, Canada, 2005. .
25. Assisted Model Building with Energy Refinement ver. 7 (Amber7), University of California, San Francisco, CA, 2002. .
26. Cieplak P., Caldwell J., and Kollman P. J. Comput. Chem. 22 (2001) 1048
27. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., and Klein M.L. J. Chem. Phys. 79 (1983) 926
28. Krueger B.P., and Kollman P.A. Proteins 45 (2001) 4
29. M.J. Frisch et al., Gaussian03, Revision D.01, Gaussian, Inc., Wallingford, CT, 2004. .
30. Abinit-mp, available from the website of RSS21 project. .
31. Mochizuki Y., and Tanaka K. Chem. Phys. Lett. 443 (2007) 389
32. Fukuzawa K., Komeiji Y., Mochizuki Y., Nakano T., and Tanaka S. J. Comput. Chem. 27 (2006) 948
33. Fukuzawa K., Mochizuki Y., Tanaka S., Kitaura K., and Nakano T. J. Phys. Chem. B 110 (2006) 16102
34. Kurisaki I., et al. Biophys. Chem. 130 (2007) 1
35. Mochizuki Y., Nakano T., Koikegami S., Tanimori S., Abe Y., Nagashima U., and Kitaura K. Theor. Chem. Acc. 112 (2004) 442
36. Mochizuki Y., Koikegami S., Nakano T., Amari S., and Kitaura K. Chem. Phys. Lett. 396 (2004) 473