Spontaneous insertion of polypeptide chains into membranes: a Monte Carlo model.

AUTOR(ES)

Milik, M

RESUMO

The Monte Carlo dynamics method was used to examine the process of protein insertion into model cell membranes. The water and lipid environments were taken into account via an effective medium approximation based on coordinate-dependent hydrophobic and hydrogen bond potentials. The polypeptide chain was represented in a full-backbone atom representation as a chain of diamond lattice vectors. The simulations support the idea that to a good approximation insertion may be depicted as a spontaneous thermodynamic process. The mechanism of membrane insertion of a simple lattice protein chain exhibits many features of theoretical predictions and is in good accord with experimental data. In the model, insertion begins with adsorption of the chain onto the interface, followed by the formation of helical fragments. These fragments, having partially saturated internal hydrogen bonds, can be transported into the lipid phase and then form transbilayer structures.

Documentos Relacionados

• Monte Carlo simulations on an equilibrium globular protein folding model.
• A Monte Carlo model of fd and Pf1 coat proteins in lipid membranes.
• Insertion of proteins into bacterial membranes: mechanism, characteristics, and comparisons with the eucaryotic process.
• Insertion and hairpin formation of membrane proteins: a Monte Carlo study.
• Insertion of Ia and H-2 alloantigens into model membranes.