ArticleThe journal of physical chemistry. B2005
When light falls in LOV: a quantum mechanical/molecular mechanical study of photoexcitation in Phot-LOV1 of Chlamydomonas reinhardtii.
Article in The journal of physical chemistry. B, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed, 70 citations in OpenAlex.
- Protein Electrostatics Tune the Singlet-Triplet Energy Gap in Natural and Engineered Phototropin Light-Oxygen-Voltage (LOV) Domains.Journal of the American Chemical Society · 2026Article
- Article
- Electronic Structure Methods for Simulating Flavin's Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods.The journal of physical chemistry. B · 2024Article
- Excited State Resonance Raman of Flavin Mononucleotide: Comparison of Theory and Experiment.The journal of physical chemistry. A · 2021Article
- QM calculations predict the energetics and infrared spectra of transient glutamine isomers in LOV photoreceptors.Physical chemistry chemical physics : PCCP · 2021Article
- Peripheral Methionine Residues Impact Flavin Photoreduction and Protonation in an Engineered LOV Domain Light Sensor.Biochemistry · 2021Article
- Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence.The journal of physical chemistry. B · 2021Article
- New Light on the Mechanism of Phototransduction in Phototropin.Biochemistry · 2020Article
- Helical Contributions Mediate Light-Activated Conformational Change in the LOV2 Domain ofACS omega · 2019Article
- Identification of ubiquinol binding motifs at the Qo-site of the cytochrome bc1 complex.The journal of physical chemistry. B · 2015Article
- LOV-based optogenetic devices: light-driven modules to impart photoregulated control of cellular signaling.Frontiers in molecular biosciences · 2015Review
- Light-induced structural changes in a short light, oxygen, voltage (LOV) protein revealed by molecular dynamics simulations-implications for the understanding of LOV photoactivation.Frontiers in molecular biosciences · 2015Article
- Signaling mechanisms of LOV domains: new insights from molecular dynamics studies.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2013Article
- Why flavins are not competitors of chlorophyll in the evolution of biological converters of solar energy.International journal of molecular sciences · 2012Review
- Decrypting cryptochrome: revealing the molecular identity of the photoactivation reaction.Journal of the American Chemical Society · 2012Article
- Signals of LOV1: a computer simulation study on the wildtype LOV1-domain of Chlamydomonas reinhardtii and its mutants.Journal of molecular modeling · 2012Article
- GFP's mechanical intermediate states.PloS one · 2012Article
- Effect of computational methodology on the conformational dynamics of the protein photosensor LOV1 from Chlamydomonas reinhardtii.Journal of chemical biology · 2011Article
- Modulating LOV domain photodynamics with a residue alteration outside the chromophore binding site.Biochemistry · 2011Article
- Tripping the light fantastic: blue-light photoreceptors as examples of environmentally modulated protein-protein interactions.Biochemistry · 2011Review
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
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.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.