Mechanochemical Function of Myosin II: Investigation into the Recovery Stroke and ATP Hydrolysis.

ABSTRACT: Myosin regulates muscle function through a complex cycle of conformational rearrangements coupled with the hydrolysis of adenosine triphosphate (ATP). The recovery stroke reorganizes the myosin active site to hydrolyze ATP and cross bridge with the thin filament to produce muscle contraction. Engineered mutations K84M and R704E in Dictyostelium myosin have been designed to specifically inhibit the recovery stroke and have been shown to indirectly affect the ATPase activity of myosin. We investigated these mutagenic perturbations to the recovery stroke and generated thermodynamically correct and unbiased trajectories for native ATP hydrolysis with computationally enhanced sampling methods. Our methodology was able to resolve experimentally observed changes to kinetic and equilibrium

SUBMITTER: Baldo AP 

PROVIDER: S-EPMC7696650 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature