Molecular Dynamics Studies of the PKCα-C2 Domain Bound to Mixed Lipid Membranes
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Molecular Dynamics (MD) simulations employing both a full molecular membrane model (FM) and a highly mobile membrane mimetic model (HMMM), which equilibrates faster, were used to determine the configuration of the PKCα-C2 binding domain bound to a mixed PC/ PS membrane. Spontaneous binding was observed during the simulation. The final open-faced docking configuration provides an unconstrained path along the membrane for laterally diffusing lipids, like PIP2, to bind to either the exposed OH-moiety of Y195 or to the lysine rich cluster without severely altering the overall orientation of the domain.
Protein Kinase C
PKCα C2 domain
Mixed lipid membranes
Membrane bound configuration of PKCα C2 domain