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• W2050322421 endingPage "13013" @default.
• W2050322421 startingPage "13006" @default.
• W2050322421 abstract "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." @default.
• W2050322421 created "2016-06-24" @default.
• W2050322421 creator A5029996336 @default.
• W2050322421 creator A5031996829 @default.
• W2050322421 creator A5065918184 @default.
• W2050322421 date "2005-06-15" @default.
• W2050322421 modified "2023-09-27" @default.
• W2050322421 title "When Light Falls in LOV: A Quantum Mechanical/Molecular Mechanical Study of Photoexcitation in Phot-LOV1 of <i>Chlamydomonas reinhardtii</i>" @default.
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• W2050322421 doi "https://doi.org/10.1021/jp050943o" @default.
• W2050322421 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2453334" @default.
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• W2050322421 hasPublicationYear "2005" @default.
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