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The investigation of interaction between plastocyanin and photosystem I in plants using molecular modelingтезисы доклада
- Авторы: Volkhin I.A., Fedorov V.A., Khruschev S.S., Kovalenko I.B.
- Сборник: BIOMEMBRANES 2024. International Conference. 07.10.2024-11.10.2024: Book of Abstracts. Dolgoprudny: MIPT, 2024. – 290 p
- Тезисы
- Год издания: 2024
- Место издания: Moscow Institute of Physics and Technology (National Research University) Dolgoprudny
- Первая страница: 265
- Последняя страница: 265
- Аннотация: Plastocyanin is an electron carrier protein in the electron transport chain ofcyanobacteria and chloroplasts, carrying out electron transfer from cytochrome f ofcytochrome-b6f-complex to photosystem I. In this work, we study the formation ofthe protein-protein complex between plastocyanin and photosystem I of Pisumsativum using molecular modeling. We presume that at first proteins diffuse under theinfluence of random forces and electrostatic interactions. The result of the diffusionis the formation of the encounter complex, which can then turn into the final complexin which electron transfer is possible [1]. We modeled the formation of the encountercomplex using the Brownian dynamics method in which protein molecules arerepresented as solid bodies, moving through a continuous solvent medium [2]. Thenwe used the structure of the encounter complex as the initial structure for modelingthe formation of the final complex using molecular dynamics. We ran threesimulations lasting 1 μs and in one case out of three the final complex was formed.We propose that in the first step, the encounter complex is formed due to theelectrostatic interaction between plastocyanin and the PsaF subunit of photosystem I.Then plastocyanin can rotate around the electrostatic contact and form the finalcomplex due to the hydrophobic interactions. We propose that the crucial amino acidresidues for this process are Q663, Q666, and S662 of the PsaA subunit, L626, Q608,and S629 of the PsaB subunit and P36, P86, F35, and L12 of plastocyanin.
- Добавил в систему: Вольхин Илья Александрович