Dynamic conformational changes due to the ATP hydrolysis in the motor domain of myosin: 10-ns molecular dynamics simulations

被引：3

作者：

Kawakubo, Tatsuyuki ^{[1
]}

Okada, Okimasa ^{[2
]}

Minami, Tomoyuki ^{[3
]}

机构：

[1] Toin Univ Yokohama, Fac Engn, Aoba Ku, Yokohama, Kanagawa 2258502, Japan

[2] Mitsubishi Tanabe Pharma Corp, Med Chem Lab, Aoba Ku, Yokohama, Kanagawa 2270033, Japan

[3] FUJIFILM Corp, Life Sci Prod Div, Minato Ku, Tokyo 1068620, Japan

来源：

BIOPHYSICAL CHEMISTRY | 2009年 / 141卷 / 01期

关键词：

Molecular dynamics (MD) simulations; Myosin motor domain; ATP hydrolysis; Intramolecular motions of atoms; Dynamic structural fluctuations; RAY SOLUTION SCATTERING; COLLECTIVE MOTIONS; RECOVERY STROKE; ACTIN; NUCLEOTIDE; BINDING; PROTEIN; MODEL; HEAD; MECHANICS;

D O I：

10.1016/j.bpc.2008.12.014

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Muscle contraction is caused by directed movement of myosin heads along actin filaments. This movement is triggered by ATP hydrolysis, which occurs within the motor domain of myosin. The mechanism for this intramolecular process remains unknown owing to a lack of ways to observe the detailed motions of each atom in the myosin molecule. We carried out 10-ns all-atom molecular dynamics simulations to investigate the types of dynamic conformational changes produced in the motor domain by the energy released from ATP hydrolysis. The results revealed that the thermal fluctuations modulated by perturbation of ATP hydrolysis are biased in one direction that is relevant to directed movement of the myosin head along the actin filament. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：75 / 86

页数：12

共 6 条

[1] Dynamic structure change due to ATP hydrolysis in the motor domain of myosin: Molecular dynamics simulations
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