Electro-detachment of kinesin motor domain from microtubule in silico

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985882%3A_____%2F23%3A00570259" target="_blank" >RIV/67985882:_____/23:00570259 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1016/j.csbj.2023.01.018" target="_blank" >http://dx.doi.org/10.1016/j.csbj.2023.01.018</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.csbj.2023.01.018" target="_blank" >10.1016/j.csbj.2023.01.018</a>

Result language

angličtina

Original language name

Electro-detachment of kinesin motor domain from microtubule in silico

Original language description

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/)

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10610 - Biophysics

Project

<a href="/en/project/GX20-06873X" target="_blank" >GX20-06873X: SubTHz on-chip devices for controlling protein nanomachines</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2023

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Computational and Structural Biotechnology Journal

ISSN

2001-0370

e-ISSN

2001-0370

Volume of the periodical

21

Issue of the periodical within the volume

FEB 2023

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

13

Pages from-to

1349-1361

UT code for WoS article

000933953200001

EID of the result in the Scopus database

2-s2.0-85147798567