Selectivity of Aquaporin 1 Against Protons

Molecular dynamics simulations have identified a strong electrostatic field in aquaporin water channels, which not only strongly polarizes passing water molecules, but also substantially contributes to the barrier against protons. This electrostatic effect therefore aids proton exclusion by aquaporins, an essential prerequisite for maintaining vital bioenergetic proton gradients across biological membranes.


de Groot, B. L.; Grubmueller, H.: The dynamics and energetics of water permeation and proton exclusion in aquaporins. Current Opinion in Structural Biology 15 (2), pp. 176 - 183 (2005)
de Groot, B. L.; Frigato, T.; Helms, V.; Grubmueller, H.: The mechanism of proton exclusion in the aquaporin-1 water channel. Journal of Molecular Biology 333 (2), pp. 279 - 293 (2003)


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