ArticleBiophysical journal2008
The elastic properties of the structurally characterized myosin II S2 subdomain: a molecular dynamics and normal mode analysis.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
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Who cites it
37 citing papers in PubMed.
- Using Multiscale Simulations as a Tool to Interpret Equatorial X-ray Fiber Diffraction Patterns from Skeletal Muscle.International journal of molecular sciences · 2023Article
- Contraction of the rigor actomyosin complex drives bulk hemoglobin expulsion from hemolyzing erythrocytes.Biomechanics and modeling in mechanobiology · 2023Article
- Insights into Muscle Contraction Derived from the Effects of Small-Molecular Actomyosin-Modulating Compounds.International journal of molecular sciences · 2022Article
- Anisotropic Elasticity of the Myosin Motor in Muscle.International journal of molecular sciences · 2022Article
- Cross-bridge mechanics estimated from skeletal muscles' work-loop responses to impacts in legged locomotion.Scientific reports · 2021Article
- Evidence for S2 flexibility by direct visualization of quantum dot-labeled myosin heads and rods within smooth muscle myosin filaments moving on actin in vitro.The Journal of general physiology · 2021Article
- Steered molecular dynamic simulations reveal Marfan syndrome mutations disrupt fibrillin-1 cbEGF domain mechanosensitive calcium binding.Scientific reports · 2020Article
- Straightening Out the Elasticity of Myosin Cross-Bridges.Biophysical journal · 2020Review
- Comparing models with one versus multiple myosin-binding sites per actin target zone: The power of simplicity.The Journal of general physiology · 2019Article
- Nonlinear Actomyosin Elasticity in Muscle?Biophysical journal · 2019Article
- Functional significance of HCM mutants of tropomyosin, V95A and D175N, studied withBiophysics and physicobiology · 2019Article
- Do Actomyosin Single-Molecule Mechanics Data Predict Mechanics of Contracting Muscle?International journal of molecular sciences · 2018Review
- Multiscale and Multiaxial Mechanics of Vascular Smooth Muscle.Biophysical journal · 2017Article
- Desmosomes and Intermediate Filaments: Their Consequences for Tissue Mechanics.Cold Spring Harbor perspectives in biology · 2017Review
- Intrinsic K-Ras dynamics: A novel molecular dynamics data analysis method shows causality between residue pair motions.Scientific reports · 2016Article
- The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.The Journal of biological chemistry · 2016Article
- Characterization of the flexibility of the peripheral stalk of prokaryotic rotary A-ATPases by atomistic simulations.Proteins · 2016Article
- Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations.Protein engineering, design & selection : PEDS · 2016Article
- Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy.Angewandte Chemie (International ed. in English) · 2016Article
- A new mechanokinetic model for muscle contraction, where force and movement are triggered by phosphate release.Journal of muscle research and cell motility · 2014Article
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Authors and funding
3 authors.
Funding
Abstract
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 alpha-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) alpha-helix model was examined to test the methodology and because of its interest as part of the lever arm. As expected, both the alpha-helix and coiled-coil S2 subdomain are very stiff for stretching along the main axis, with the stretching stiffness constant in the range 60-80 pN/nm (scaled to the 60 nm long S2). Both molecules are much more flexible for bending with a lateral stiffness of approximately 0.010 pN/nm for the S2 and 0.0055 pN/nm for the alpha-helix (scaled to 60 nm). These results are expected to be useful in estimating cross-bridge elasticity, which is required for understanding the strain-dependent transitions in the actomyosin cycle and for the development of three-dimensional models of muscle contraction.
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