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

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

研究成果: Article

17 引用 (Scopus)

抜粋

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.

元の言語English
記事番号022718
ジャーナルPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
89
発行部数2
DOI
出版物ステータスPublished - 2014 2 21

ASJC Scopus subject areas

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

フィンガープリント 1 / f fluctuations of amino acids regulate water transportation in aquaporin 1' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

  • これを引用