Project B1

Structural dynamics of channelrhodopsins

Principal Investigators: Prof. Dr. Peter Hegemann (HU), Prof. Dr. Hartmut Oschkinat (FMP)

The long-term goal of this project is to gain an understanding of the structural dynamics of Channelrhodopsin linked to the opening and closing of the light-gated ion channel. Based on the 3D crystal structure of ChR, we want to reach the next level of insight into the regulation of conformational transitions. Static “snapshots” of ChR in terms of their three dimensional architecture in light and darkness should be provided by structural techniques such as X-ray crystallography as well as solution-NMR and solid state NMR (NMR, nuclear magnetic resonance). As a long-term goal, we want to monitor proton-hopping within the channel by means of solid-state NMR exchange spectroscopy.



Fudim, R., Szczepek, M., Vierock, J., Vogt, A., Schmidt, A., Kleinau, G., Fischer, P., Bartl, F., Scheerer, P., Hegemann, P. (2019). Design of a light-gated proton channel based on the crystal structure of Coccomyxa rhodopsin. Sci Signal. 2019 Mar 19;12(573). pii: eaav4203. doi: 10.1126/scisignal.aav4203

Grimm, C., Silapetere, A., Vogt, A., Bernal S., Yinth A., and Hegemann, P. (2018). Electrical properties, substrate specificity and optogenetic potential of the engineered light-driven sodium pump eKR2. Sci Rep 8, 9316.

Mukherjee, S., Hegemann, P., Broser, M. (2019). Enzymerhodopsins: novel photoregulated catalysts for optogenetics. Curr Opin Struct Biol. 57:118-126. doi: 10.1016/

Scheib, U., Broser, M., Constantin, O. M., Yang, S.,Gao, S., Mukherjee, S., Stehfest, K., Nagel, G., Gee, C. E., and Hegemann, P. (2018). Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 Å structure of the adenylyl cyclase domain. Nature Commun 9, 2046.

2013 - 2016

Bruun, S., Stoeppler, D., Keidel, A., Kuhlmann, U., Luck, M., Diehl, A., Geiger, M.-A., Woodmansee, D., Trauner, D., Hegemann, P., Oschkinat, H., Hildebrandt, P., and Stehfest, K. (2015). Light–Dark Adaptation of Channelrhodopsin Involves Photoconversion between the all-trans and 13-cis Retinal Isomers. Biochemistry 54, 5389-5400.

Ernst, O.P., Lodowski, D.T., Elstner, M., Hegemann, P., Brown, L.S., and Kandori, H. (2014). Microbial and Animal Rhodopsins: Structures, Functions, and Molecular Mechanisms. Chemical Reviews 114, 126-163.

Jagtap, A.P., Geiger, M.-A., Stöppler, D., Orwick-Rydmark, M., Oschkinat, H., and Sigurdsson, S.T. (2016). bcTol: A highly water-soluble biradical for efficient dynamic nuclear polarization of biomolecules. Chemical Communications 52, 7020-7023.

Kuhne, J., Eisenhauer, K., Ritter, E., Hegemann, P., Gerwert, K., and Bartl, F. (2015). Early Formation of the Ion-Conducting Pore in Channelrhodopsin-2. Angewandte Chemie International Edition 54, 4953-4957.

Luck, M., Bruun, S., Keidel, A., Hegemann, P., and Hildebrandt, P. (2015). Photochemical chromophore isomerization in histidine kinase rhodopsin HKR1. FEBS Letters 589, 1067-1071.

Ritter, E., Piwowarski, P., Hegemann, P., and Bartl, F.J. (2013). Light-dark Adaptation of Channelrhodopsin C128T Mutant. Journal of Biological Chemistry 288, 10451-10458.

Scheib, U., Stehfest, K., Gee, C.E., Korschen, H.G., Fudim, R., Oertner, T.G., and Hegemann, P. (2015). The rhodopsin-guanylyl cyclase of the aquatic fungus Blastocladiella emersonii enables fast optical control of cGMP signaling. Science Signaling 8, rs8.

Stöppler, D., Song, C., van Rossum, B.-J., Geiger, M.-A., Lang, C., Mroginski, M.-A., Jagtap, A.P., Sigurdsson, S.T., Matysik, J., Hughes, J., and Oschkinat, H. (2016). Dynamic nuclear polarization provides new insights into chromophore structure in phytochrome photoreceptors. Angewandte Chemie International Edition 55, 16017–16020.