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Effect of palytoxin on the sodium–potassium pump: model and simulation

We propose a reaction model for the palytoxin–sodium–potassium (PTX–Na+/K+) pump complex. The model, which is similar to the Albers–Post model for Na+/K+-ATPase, is used to elucidate the effect of PTX on Na+/K+-ATPase during the enzyme interactions with Na+ and/or K+ ions. Conformational substates and reactions for the pump are incorporated into the Albers–Post model to represent enzymes with or without bound PTX. A mathematical model based on the reaction scheme is used in simulations modeling experimental studies of PTX-induced ionic currents. Our simulations suggest that (i) extracellular Na+ as well as K+ promotes PTX-induced channel blockage; (ii) extracellular K+ accelerates PTX unbinding; and (iii) K+ occlusion in the PTX–pump complex is essential for describing the PTX-induced current dynamics.