Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach

Abstract The mechanical properties of microtubules are of great importance for understanding their biological function and for applications in artificial devices. Although microtubule mechanics has been extensively studied both theoretically and experimentally, the relation to its molecular structur...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Daniel Havelka, Marco A. Deriu, Michal Cifra, Ondřej Kučera
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e923275ab6c84b638424cbb4e8a9f6a5
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:e923275ab6c84b638424cbb4e8a9f6a5
record_format	dspace
spelling	oai:doaj.org-article:e923275ab6c84b638424cbb4e8a9f6a52021-12-02T12:30:11ZDeformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach10.1038/s41598-017-04272-w2045-2322https://doaj.org/article/e923275ab6c84b638424cbb4e8a9f6a52017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-04272-whttps://doaj.org/toc/2045-2322Abstract The mechanical properties of microtubules are of great importance for understanding their biological function and for applications in artificial devices. Although microtubule mechanics has been extensively studied both theoretically and experimentally, the relation to its molecular structure is understood only partially. Here, we report on the structural analysis of microtubule vibration modes calculated by an atomistic approach. Molecular dynamics was applied to refine the atomic structure of a microtubule and a C α elastic network model was analyzed for its normal modes. We mapped fluctuations and local deformations up to the level of individual aminoacid residues. The deformation is mode-shape dependent and principally different in α-tubulins and β-tubulins. Parts of the tubulin dimer sequence responding specifically to longitudinal and radial stress are identified. We show that substantial strain within a microtubule is located both in the regions of contact between adjacent dimers and in the body of tubulins. Our results provide supportive evidence for the generally accepted assumption that the mechanics of microtubules, including its anisotropy, is determined by the bonds between tubulins.Daniel HavelkaMarco A. DeriuMichal CifraOndřej KučeraNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Daniel Havelka Marco A. Deriu Michal Cifra Ondřej Kučera Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
description	Abstract The mechanical properties of microtubules are of great importance for understanding their biological function and for applications in artificial devices. Although microtubule mechanics has been extensively studied both theoretically and experimentally, the relation to its molecular structure is understood only partially. Here, we report on the structural analysis of microtubule vibration modes calculated by an atomistic approach. Molecular dynamics was applied to refine the atomic structure of a microtubule and a C α elastic network model was analyzed for its normal modes. We mapped fluctuations and local deformations up to the level of individual aminoacid residues. The deformation is mode-shape dependent and principally different in α-tubulins and β-tubulins. Parts of the tubulin dimer sequence responding specifically to longitudinal and radial stress are identified. We show that substantial strain within a microtubule is located both in the regions of contact between adjacent dimers and in the body of tubulins. Our results provide supportive evidence for the generally accepted assumption that the mechanics of microtubules, including its anisotropy, is determined by the bonds between tubulins.
format	article
author	Daniel Havelka Marco A. Deriu Michal Cifra Ondřej Kučera
author_facet	Daniel Havelka Marco A. Deriu Michal Cifra Ondřej Kučera
author_sort	Daniel Havelka
title	Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
title_short	Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
title_full	Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
title_fullStr	Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
title_full_unstemmed	Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach
title_sort	deformation pattern in vibrating microtubule: structural mechanics study based on an atomistic approach
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/e923275ab6c84b638424cbb4e8a9f6a5
work_keys_str_mv	AT danielhavelka deformationpatterninvibratingmicrotubulestructuralmechanicsstudybasedonanatomisticapproach AT marcoaderiu deformationpatterninvibratingmicrotubulestructuralmechanicsstudybasedonanatomisticapproach AT michalcifra deformationpatterninvibratingmicrotubulestructuralmechanicsstudybasedonanatomisticapproach AT ondrejkucera deformationpatterninvibratingmicrotubulestructuralmechanicsstudybasedonanatomisticapproach
_version_	1718394430125244416

Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach

Ejemplares similares