Sequence of ionophore conformational changes induced by a simulated membrane/water interface

Abstract

We demonstrate how the progressive passage through an interface simulated by a linear increase in dielectric constant may mediate a reversible transconformation of Na+/X337A (lasalocid A) from a cyclic to an extended structure, During the passage through the interface, the complex adopts progressively a more extended conformation favorable to the Na+ complexation or decomplexation at the interface.