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Title:Quantum Mechanical/molecular Mechanical Studies of F(1)-Atpase and a Plant Photoreceptor
Author(s):Dittrich, Markus
Doctoral Committee Chair(s):Schulten, Klaus
Department / Program:Physics
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Biophysics, General
Abstract: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. We have performed QM/MM simulations of the photocycle of a complete Phot-LOV1 domain from C. 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, C57, 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 dynamical effects mediate signal transmission following the initial photoexcitation event.
Issue Date:2005
Description:104 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2005.
Other Identifier(s):(MiAaPQ)AAI3198972
Date Available in IDEALS:2015-09-25
Date Deposited:2005

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