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Title: Structural Basis for Allosteric Regulation in the Major Antenna Trimer of Photosystem II
Authors: Daskalakis, Vangelis 
Maity, Sayan 
Hart, Cameron Lewis 
Stergiannakos, Taxiarchis 
Duffy, Christopher D P 
Kleinekathöfer, Ulrich 
Major Field of Science: Natural Sciences
Field Category: Biological Sciences
Keywords: Allosteric regulation;Environmental conditions;Molecular simulations
Issue Date: 14-Nov-2019
Source: The Journal of Physical Chemistry B, 2019, vol. 123, no. 45, pp. 9609-9615
Volume: 123
Issue: 45
Start page: 9609
End page: 9615
Journal: The Journal of Physical Chemistry B 
Abstract: The allosteric regulation of protein function proves important in many life-sustaining processes. In plant photosynthesis, LHCII, the major antenna complex of Photosystem II, employs a delicate switch between light harvesting and photoprotective modes. The switch is triggered by an enlarged pH gradient (ΔpH) across the thylakoid membranes. Using molecular simulations and quantum calculations, we show that ΔpH can tune the light-harvesting potential of the antenna via allosteric regulation of the excitonic coupling in chlorophyll-carotenoid pairs. To this end, we propose how the LHCII excited state lifetime is coupled to the environmental conditions. In line with experimental findings, our theoretical model provides crucial evidence toward the elucidation of the photoprotective switch of higher plants at an all-atom resolution.
ISSN: 1520-5207
DOI: 10.1021/acs.jpcb.9b09767
Rights: © American Chemical Society
Attribution-NonCommercial-NoDerivs 3.0 United States
Type: Article
Affiliation : Cyprus University of Technology 
Jacobs University Bremen 
Queen Mary University of London 
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