Počet záznamů: 1
Electro-detachment of kinesin motor domain from microtubule in silico
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SYSNO ASEP 0570259 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Electro-detachment of kinesin motor domain from microtubule in silico Tvůrce(i) Průša, Jiří (URE-Y)
Cifra, Michal (URE-Y) RID, ORCID, SAICelkový počet autorů 2 Zdroj.dok. Computational and Structural Biotechnology Journal. - : Elsevier - ISSN 2001-0370
Roč. 21, FEB 2023 (2023), s. 1349-1361Poč.str. 13 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova Electric field ; Proteins ; Tubulin ; Microtubules ; Molecular dynamics simulation Vědní obor RIV BH - Optika, masery a lasery Obor OECD Biophysics CEP GX20-06873X GA ČR - Grantová agentura ČR Způsob publikování Omezený přístup Institucionální podpora URE-Y - RVO:67985882 UT WOS 000933953200001 EID SCOPUS 85147798567 DOI 10.1016/j.csbj.2023.01.018 Anotace Kinesin is a motor protein essential in cellular functions, such as intracellular transport and cell-division, as well as for enabling nanoscopic transport in bio-nanotechnology. Therefore, for effective control of function for nanotechnological applications, it is important to be able to modify the function of kinesin. To cir-cumvent the limitations of chemical modifications, here we identify another potential approach for kinesin control: the use of electric forces. Using full-atom molecular dynamics simulations (247,358 atoms, total time 4.4 mu s), we demonstrate, for the first time, that the kinesin-1 motor domain can be detached from a microtubule by an intense electric field within the nanosecond timescale. We show that this effect is fielddirection dependent and field-strength dependent. A detailed analysis of the electric forces and the work carried out by electric field acting on the microtubule-kinesin system shows that it is the combined action of the electric field pulling on the-tubulin C-terminus and the electric-field-induced torque on the kinesin dipole moment that causes kinesin detachment from the microtubule. It is shown, for the first time in a mechanistic manner, that an electric field can dramatically affect molecular interactions in a heterologous functional protein assembly. Our results contribute to understanding of electromagnetic field-biomatter interactions on a molecular level, with potential biomedical and bio-nanotechnological applications for harnessing control of protein nanomotors.(c) 2023 The Author(s). Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology. This is an open access article under the CC BY-NC-ND license (http://creative-commons.org/licens es/by-nc-nd/4.0/) Pracoviště Ústav fotoniky a elektroniky Kontakt Petr Vacek, vacek@ufe.cz, Tel.: 266 773 413, 266 773 438, 266 773 488 Rok sběru 2024 Elektronická adresa 10.1016/j.csbj.2023.01.018
Počet záznamů: 1