Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes

Groenhof, G., Lensink, M. F., Berendsen, H. J. C. and Mark, A. E. (2002) Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes. Proteins-structure Function And Genetics, 48 2: 212-219. doi:10.1002/prot.10135


Author Groenhof, G.
Lensink, M. F.
Berendsen, H. J. C.
Mark, A. E.
Title Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes
Journal name Proteins-structure Function And Genetics   Check publisher's open access policy
ISSN 0887-3585
Publication date 2002-01-01
Sub-type Article (original research)
DOI 10.1002/prot.10135
Volume 48
Issue 2
Start page 212
End page 219
Total pages 8
Place of publication New York
Publisher Wiley-liss
Language eng
Abstract Molecular dynamics simulation techniques, together with semiempirical PM3 calculations, have been used to investigate the effect of photoisomerization of the 4-hydroxy-cinnamic acid chromophore on the structural properties of the photoactive yellow protein (PYP) from Ectothiorodospira halophila. In this bacteria, exposure to blue light leads to a negative photoactic response. The calculations suggest that the isomerization does not directly destabilize the protein. However, because of the isomerization, a proton transfer from a glutamic acid residue (Glu(46)) to the phenolate oxygen atom of the chromophore becomes energetically favorable. The proton transfer initiates conformational. changes within the protein, which are in turn believed to lead to signaling. (C) 2002 Wiley-Liss, Inc.
Keyword Biochemistry & Molecular Biology
Biophysics
photoactive yellow protein
signal transduction
proton transfer
molecular dynamics
semiempirical PM3 calculations
Semiempirical Methods
Photocycle
Intermediate
Chromophore
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Chemistry and Molecular Biosciences
 
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Created: Thu, 20 Sep 2007, 01:26:35 EST