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

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

Research output: Contribution to journalArticle

13 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

Fingerprint

amino acids
Amino Acids
Fluctuations
Water
water
Molecular Dynamics Simulation
Molecules
molecular dynamics
Nanopore
Memory Term
simulation
biomimetics
Stochastic Simulation
Selectivity
molecules
Membrane
selectivity
Filter
filters
protons

ASJC Scopus subject areas

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

Cite this

1 / f fluctuations of amino acids regulate water transportation in aquaporin 1. / Yamamoto, Eiji; Akimoto, Takuma; Hirano, Yoshinori; Yasui, Masato; Yasuoka, Kenji.

In: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 89, No. 2, 022718, 21.02.2014.

Research output: Contribution to journalArticle

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