期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 109, 期 26, 页码 13006-13013出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp050943o
关键词
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资金
- NCRR NIH HHS [P41 RR005969, P41 RR006009, P41 RR005969-11, 5P41 RR05969, P41 RR005969-12, RR06009] Funding Source: Medline
Plants use sophisticated photosensing mechanisms to maximize their utilization of the available sunlight and to control developmental processes. The plant blue-light receptors of the Phot family mediate plant phototropism and contain two light, oxygen, and voltage (LOV)-sensitive domains as photoactive elements. Here, we report combined quantum mechanical/molecular mechanical simulations of the photocycle of a complete Phot-LOV1 domain from Chlamydomonas reinhardtii. We have investigated the electronic properties and structural changes that follow blue-light absorption. This permitted us to characterize the pathway for flavin-cysteinyl adduct formation, which was found to proceed via a neutral radical state generated by hydrogen atom transfer from the reactive cysteine residue, Cys57, to the chromophore flavin mononucleotide. Interestingly, we find that adduct formation does not cause any larger scale conformational changes in Phot-LOV1, which suggests that dynamic effects mediate signal transmission following the initial photoexcitation event.
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