Reaction dynamics of the chimeric channelrhodopsin C1C2

Abstract Channelrhodopsin (ChR) is a key protein of the optogenetic toolkit. C1C2, a functional chimeric protein of Chlamydomonas reinhardtii ChR1 and ChR2, is the only ChR whose crystal structure has been solved, and thus uniquely suitable for structure-based analysis. We report C1C2 photoreaction...

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Autores principales:	Yusaku Hontani, Marco Marazzi, Katja Stehfest, Tilo Mathes, Ivo H. M. van Stokkum, Marcus Elstner, Peter Hegemann, John T. M. Kennis
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/55c88734e4454dd4b7fde387a502ba5e
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spelling	oai:doaj.org-article:55c88734e4454dd4b7fde387a502ba5e2021-12-02T12:32:06ZReaction dynamics of the chimeric channelrhodopsin C1C210.1038/s41598-017-07363-w2045-2322https://doaj.org/article/55c88734e4454dd4b7fde387a502ba5e2017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-07363-whttps://doaj.org/toc/2045-2322Abstract Channelrhodopsin (ChR) is a key protein of the optogenetic toolkit. C1C2, a functional chimeric protein of Chlamydomonas reinhardtii ChR1 and ChR2, is the only ChR whose crystal structure has been solved, and thus uniquely suitable for structure-based analysis. We report C1C2 photoreaction dynamics with ultrafast transient absorption and multi-pulse spectroscopy combined with target analysis and structure-based hybrid quantum mechanics/molecular mechanics calculations. Two relaxation pathways exist on the excited (S1) state through two conical intersections CI1 and CI2, that are reached via clockwise and counter-clockwise rotations: (i) the C13=C14 isomerization path with 450 fs via CI1 and (ii) a relaxation path to the initial ground state with 2.0 ps and 11 ps via CI2, depending on the hydrogen-bonding network, hence indicating active-site structural heterogeneity. The presence of the additional conical intersection CI2 rationalizes the relatively low quantum yield of photoisomerization (30 ± 3%), reported here. Furthermore, we show the photoreaction dynamics from picoseconds to seconds, characterizing the complete photocycle of C1C2.Yusaku HontaniMarco MarazziKatja StehfestTilo MathesIvo H. M. van StokkumMarcus ElstnerPeter HegemannJohn T. M. KennisNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-12 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Yusaku Hontani Marco Marazzi Katja Stehfest Tilo Mathes Ivo H. M. van Stokkum Marcus Elstner Peter Hegemann John T. M. Kennis Reaction dynamics of the chimeric channelrhodopsin C1C2
description	Abstract Channelrhodopsin (ChR) is a key protein of the optogenetic toolkit. C1C2, a functional chimeric protein of Chlamydomonas reinhardtii ChR1 and ChR2, is the only ChR whose crystal structure has been solved, and thus uniquely suitable for structure-based analysis. We report C1C2 photoreaction dynamics with ultrafast transient absorption and multi-pulse spectroscopy combined with target analysis and structure-based hybrid quantum mechanics/molecular mechanics calculations. Two relaxation pathways exist on the excited (S1) state through two conical intersections CI1 and CI2, that are reached via clockwise and counter-clockwise rotations: (i) the C13=C14 isomerization path with 450 fs via CI1 and (ii) a relaxation path to the initial ground state with 2.0 ps and 11 ps via CI2, depending on the hydrogen-bonding network, hence indicating active-site structural heterogeneity. The presence of the additional conical intersection CI2 rationalizes the relatively low quantum yield of photoisomerization (30 ± 3%), reported here. Furthermore, we show the photoreaction dynamics from picoseconds to seconds, characterizing the complete photocycle of C1C2.
format	article
author	Yusaku Hontani Marco Marazzi Katja Stehfest Tilo Mathes Ivo H. M. van Stokkum Marcus Elstner Peter Hegemann John T. M. Kennis
author_facet	Yusaku Hontani Marco Marazzi Katja Stehfest Tilo Mathes Ivo H. M. van Stokkum Marcus Elstner Peter Hegemann John T. M. Kennis
author_sort	Yusaku Hontani
title	Reaction dynamics of the chimeric channelrhodopsin C1C2
title_short	Reaction dynamics of the chimeric channelrhodopsin C1C2
title_full	Reaction dynamics of the chimeric channelrhodopsin C1C2
title_fullStr	Reaction dynamics of the chimeric channelrhodopsin C1C2
title_full_unstemmed	Reaction dynamics of the chimeric channelrhodopsin C1C2
title_sort	reaction dynamics of the chimeric channelrhodopsin c1c2
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/55c88734e4454dd4b7fde387a502ba5e
work_keys_str_mv	AT yusakuhontani reactiondynamicsofthechimericchannelrhodopsinc1c2 AT marcomarazzi reactiondynamicsofthechimericchannelrhodopsinc1c2 AT katjastehfest reactiondynamicsofthechimericchannelrhodopsinc1c2 AT tilomathes reactiondynamicsofthechimericchannelrhodopsinc1c2 AT ivohmvanstokkum reactiondynamicsofthechimericchannelrhodopsinc1c2 AT marcuselstner reactiondynamicsofthechimericchannelrhodopsinc1c2 AT peterhegemann reactiondynamicsofthechimericchannelrhodopsinc1c2 AT johntmkennis reactiondynamicsofthechimericchannelrhodopsinc1c2
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Reaction dynamics of the chimeric channelrhodopsin C1C2

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