1 / f fluctuations of amino acids regulate water transportation in aquaporin 1

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Masato Yasui, Kenji Yasuoka

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14 Citations (Scopus)

Abstract

Aquaporins (AQPs), which transport water molecules across cell membranes, are involved in many physiological processes. Recently, it is reported that the water-water interactions within the channel are broken at the aromatic/arginine selectivity filter (ar/R region), which prevents proton transportation [U. K. Eriksson, Science 340, 1346 (2013)SCIEAS0036-807510.1126/science.1234306]. However, the effects of the conformational fluctuations of amino acids on water transportation remain unclear. Using all-atom molecular dynamics simulations, we analyze water transportation and fluctuations of amino acids within AQP1. The amino acids exhibit 1/f fluctuations, indicating possession of long-term memory. Moreover, we find that water molecules crossing the ar/R region obey a non-Poisson process. To investigate the effect of 1/f fluctuations on water transportation, we perform restrained molecular dynamics simulations of AQP1 and simple Langevin stochastic simulations. As a result, we confirm that 1/f fluctuations of amino acids contribute to water transportation in AQP1. These findings appreciably enhance our understanding of AQPs and suggest possibilities for developing biomimetic nanopores.

Original languageEnglish
Article number022718
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume89
Issue number2
DOIs
Publication statusPublished - 2014 Feb 21

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ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

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