Spectral tuning of rhodopsin and visual cone pigments

Zhou, Xiuwen, Sundholm, Dage, Wesolowski, Tomasz A. and Kaila, Ville R. I. (2014) Spectral tuning of rhodopsin and visual cone pigments. Journal of the American Chemical Society, 136 7: 2723-2726. doi:10.1021/ja411864m


Author Zhou, Xiuwen
Sundholm, Dage
Wesolowski, Tomasz A.
Kaila, Ville R. I.
Title Spectral tuning of rhodopsin and visual cone pigments
Journal name Journal of the American Chemical Society   Check publisher's open access policy
ISSN 0002-7863
1520-5126
Publication date 2014-02-19
Sub-type Article (original research)
DOI 10.1021/ja411864m
Open Access Status Not yet assessed
Volume 136
Issue 7
Start page 2723
End page 2726
Total pages 4
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Formatted abstract
Retinal is the light-absorbing biochromophore responsible for the activation of vision pigments and light-driven ion pumps. Nature has evolved molecular tuning mechanisms that significantly shift the optical properties of the retinal pigments to enable their absorption of visible light. Using large-scale quantum chemical calculations at the density functional theory level combined with frozen density embedding theory, we show here how the protein environment of vision pigments tunes the absorption of retinal by electrostatically dominated interactions between the chromophore and the surrounding protein residues. The calculations accurately reproduce the experimental absorption maxima of rhodopsin and the red, green, and blue color pigments. We further identify key interactions responsible for the color-shifting effects by mutating the rhodopsin structure in silico, and we find that deprotonation of the retinyl is likely to be responsible for the blue-shifted absorption in the blue cone vision pigment.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Mathematics and Physics
 
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