Premium
Signal transduction in the photoactive yellow protein. I. Photon absorption and the isomerization of the chromophore
Author(s) -
Groenhof Gerrit,
Lensink Marc F.,
Berendsen Herman J. C.,
Snijders Jaap G.,
Mark Alan E.
Publication year - 2002
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.10136
Subject(s) - chromophore , isomerization , photochemistry , chemistry , absorption (acoustics) , molecular dynamics , density functional theory , computational chemistry , materials science , biochemistry , catalysis , composite material
Abstract Molecular dynamics simulation techniques together with time‐dependent density functional theory calculations have been used to investigate the effect of photon absorption by a 4‐hydroxy‐cinnamic acid chromophore on the structural properties of the photoactive yellow protein (PYP) from Ectothiorodospira halophila . The calculations suggest that the protein not only modifies the absorption spectrum of the chromophore but also regulates the subsequent isomerization of the chromophore by stabilizing the isomerization transition state. Although signaling from PYP is thought to involve partial unfolding of the protein, the mechanical effects accompanying isomerization do not appear to directly destabilize the protein. Proteins 2002;48:202–211. © 2002 Wiley‐Liss, Inc.