作者
Ivana Adamovic, Srboljub M Mijailovich, Martin Karplus
发表日期
2008/5/15
期刊
Biophysical journal
卷号
94
期号
10
页码范围
3779-3789
出版商
Elsevier
简介
The elastic properties (stretching and bending moduli) of myosin are expected to play an important role in its function. Of particular interest is the extended α-helical coiled-coil portion of the molecule. Since there is no high resolution structure for the entire coiled-coil, a study is made of the scallop myosin II S2 subdomain for which an x-ray structure is available (Protein Data Bank 1nkn). We estimate the stretching and bending moduli of the S2 subdomain with an atomic level model by use of molecular simulations. Results were obtained from nonequilibrium molecular dynamics simulations in the presence of an external force, from the fluctuations in equilibrium molecular dynamics simulations and from normal modes. In addition, a poly-Ala (78 amino acid residues) α-helix model was examined to test the methodology and because of its interest as part of the lever arm. As expected, both the α-helix and coiled-coil S2 …
引用总数
2008200920102011201220132014201520162017201820192020202120222023202421010116476945424451