Protein-Protein Docking Reveals Dynamic Interactions of Tropomyosin on Actin Filaments.

Biophysical Journal
Elumalai PavadaiMichael J Rynkiewicz

Abstract

Experimental approaches such as fiber diffraction and cryo-electron microscopy reconstruction have defined regulatory positions of tropomyosin on actin but have not, as yet, succeeded at determining key atomic-level contacts between these proteins or fully substantiated the dynamics of their interactions at a structural level. To overcome this deficiency, we have previously employed computational approaches to deduce global dynamics of thin filament components by energy landscape determination and molecular dynamics simulations. Still, these approaches remain computationally challenging for any complex and large macromolecular assembly like the thin filament. For example, tropomyosin cable wrapping around actin of thin filaments features both head-to-tail polymeric interactions and local twisting, both of which depart from strict superhelical symmetry. This produces a complex energy surface that is difficult to model and thus to evaluate globally. Therefore, at this stage of our understanding, assessing global molecular dynamics can prove to be inherently impractical. As an alternative, we adopted a "divide and conquer" protocol to investigate actin-tropomyosin interactions at an atomistic level. Here, we first employed unbiase...Continue Reading

Citations

Jan 26, 2021·The Journal of General Physiology·Larry S Tobacman, Anthony Cammarato
Mar 15, 2021·Biochemical and Biophysical Research Communications·William LehmanMichael J Rynkiewicz
Apr 2, 2021·The Journal of Physical Chemistry Letters·Anthony P BaldoSteven D Schwartz
May 1, 2021·International Journal of Molecular Sciences·Małgorzata ŚliwinskaJoanna Moraczewska
Jul 29, 2021·The Journal of General Physiology·Lorenzo R SewananStuart G Campbell

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