Cryptochrome photochemistry

Quantum region in the absorption spectra calculations

Cryptochromes, a class of proteins, exhibit a remarkable complexity beyond mere amino acid sequences. These proteins often house smaller molecules within their peptide chains, with one intriguing tenant being the flavin adenine dinucleotide (FAD) molecule. FAD boasts unique photochemical properties, particularly its light-absorption abilities in the blue region of the visible spectrum. More intriguingly, FAD's excited state can trigger the formation of a radical pair inside cryptochrome.

Our scientific endeavor is centered on employing cluster models of cryptochromes, where we narrow our focus to the quantum mechanically relevant regions. We turn to the formidable tool of time-dependent density functional theory to explore and understand the photoabsorption capabilities of FAD within cryptochrome. We aim to bridge the gap between theory and the natural world, unraveling the mysteries of this intricate relationship and shedding light on the underlying principles that govern these bio-molecular interactions.

Recent Publications

Cryptochrome magnetoreception: four tryptophans could be better than three, Siu Ying Wong, Yujing Wei, Henrik Mouritsen, Ilia A. Solov'yov, P. J. Hore, Journal of the Royal Society Interface, 18, 20210601, (2021)
Magnetic sensitivity of cryptochrome 4 from a migratory songbird, Jingjing Xu, Lauren E. Jarocha, Tilo Zollitsch, Marcin Konowalczyk, Kevin B. Henbest,Sabine Richert, Matthew J. Golesworthy, Jessica Schmidt, Victoire Déjean, Daniel J. C. Sowood, Marco Bassetto, Jiate Luo, Jessica R. Walton, Jessica Fleming, Yujing Wei, Tommy L. Pitcher, Gabriel Moise, Maike Herrmann, Hang Yin, Haijia Wu, Rabea Bartölke, Stefanie J. Käsehagen, Simon Horst, Glen Dautaj, Patrick D. F. Murton, Angela S. Gehrckens, Yogarany Chelliah, Joseph S. Takahashi, Karl-Wilhelm Koch, Stefan Weber, Ilia A. Solov'yov, Can Xie, Stuart R. Mackenzie, Christiane R. Timmel, Henrik Mouritsen, P., Nature, 594, 535-540, (2021)
Frontiers in Multiscale Modeling of Photoreceptor Proteins, Maria-Andrea Mroginski, Suliman Adam, Gil S. Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A. Borin,Jonathan R. Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza-González, Ronald González, Cristina E. González-Espinoza, Rajiv K. Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I. Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Párez de Alba Ortíz, Elisa Pieri, Aditya G., Photochemistry and Photobiology, 97, 243-269, (2021)
Structural Explanations of Flavin Adenine Dinucleotide Binding in Drosophila melanogaster Cryptochrome, Emil Sjulstok, Ilia A. Solov'yov, Journal of Physical Chemistry Letters, 11, 3866-3870, (2020)
Application of molecular modeling to flavoproteins: insights and challenges, Emil Sjulstok, Ilia A. Solov'yov, Peter L. Freddolino, in: Methods in Enzymology: New approaches for Flavin Catalysis, edited by: Bruce A. Palfey, 277-314, Elsevier Aademic Press, (2019)