Journal of Photoscience

Korean Society of Photoscience (한국광과학회)
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Molecular Dynamics of the M intermediate of photoactive yellow protein in solution

  • Sakurai, Minoru (Department of Biomolecular Engineering, Tokyo Institute of Technology) ;
  • Shiozawa, Mariko (Department of Biomolecular Engineering, Tokyo Institute of Technology) ;
  • Arai, Shohei (Department of Biomolecular Engineering, Tokyo Institute of Technology) ;
  • Inoue, Yoshio (Department of Biomolecular Engineering, Tokyo Institute of Technology) ;
  • Kamiya, Narutoshi (Biomolecular Engineering Research Institute) ;
  • Higo, Junichi (Laboratory of Bioinfomatics, School of Life Science, Tokyo University of Pharmacy)
  • Published : 2002.08.01
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Abstract

PYP consists of a water-soluble apoprotein and 4-hydroxycinnamyl chromophore bound to Cys69 via thiolester linkage, Upon absorption of a photon, the photocycle is initiated, leading to formation of several photo-intermediates. Among them, M intermediate is important to understand the signal transduction mechanism of PYP, because it is a putative signaling state. As well known, the dynamics of a protein is closely correlated with the occurrence of its function. Here we report the results of IO ns molecular dynamics (MD) simulation for the M intermediate in aqueous solution and discuss the characteristic feature of this state from a viewpoint of structural fluctuation.

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