Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein.

@article{Groenhof2004PhotoactivationOT,
  title={Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein.},
  author={Gerrit Groenhof and Mathieu Bouxin-Cademartory and Berk Hess and Sam P de Visser and Herman J. C. Berendsen and Massimo Olivucci and Alan E. Mark and Michael A. Robb},
  journal={Journal of the American Chemical Society},
  year={2004},
  volume={126 13},
  pages={4228-33}
}
Atomistic QM/MM simulations have been carried out on the complete photocycle of Photoactive Yellow Protein, a bacterial photoreceptor, in which blue light triggers isomerization of a covalently bound chromophore. The "chemical role" of the protein cavity in the control of the photoisomerization step has been elucidated. Isomerization is facilitated due to preferential electrostatic stabilization of the chromophore's excited state by the guanidium group of Arg52, located just above the… CONTINUE READING

From This Paper

Figures, tables, and topics from this paper.
22 Citations
15 References
Similar Papers

Citations

Publications citing this paper.
Showing 1-10 of 22 extracted citations

References

Publications referenced by this paper.
Showing 1-10 of 15 references

J. Am. Chem. Soc

  • M J Thompson, D Bashford, L Noodleman, E D Getzoff
  • J. Am. Chem. Soc
  • 2003

Proteins

  • G Groenhof, M F Lensink, H J. C Berendsen, A Mark
  • Proteins
  • 2002

Acc. Chem. Res. A. Q. ReV. Biophys

  • Acc. Chem. Res. A. Q. ReV. Biophys
  • 2001

J. Phys. Chem. B

  • N Mataga, H Chosrowjan, Y Shibata, Y Imamoto, F Tokunaga
  • J. Phys. Chem. B
  • 2000

J. Mol. Model

  • E Lindahl, B Hess, +39 authors T Keith
  • J. Mol. Model
  • 1998

Nat. Struct. Biol. Biochemistry

  • G Rubinstenn, G W Vuister, +4 authors R Kaptein
  • Nat. Struct. Biol. Biochemistry
  • 1998

Biomolecular simulation: GROMOS96 manual and user guide; BIOMOS b

  • W F Gunsteren, S R Billeter, +5 authors I G Tironi
  • Biomolecular simulation: GROMOS96 manual and user…
  • 1996

J. Chem. Phys. J. Comput. Chem

  • A Warshel, Z T Chu, M F Lensink, J Mavri, H J. C Berendsen
  • J. Chem. Phys. J. Comput. Chem
  • 1990

J. Comput. Chem

  • J P P Stewart
  • J. Comput. Chem
  • 1989

Similar Papers

Loading similar papers…