Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter

Tomoka Furukawa-Hagiya, Norio Yoshida, Shuntaro Chiba, Tomohiko Hayashi, Tadaomi Furuta, Yoshiro Sohma, Minoru Sakurai

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

ATP binding cassette proteins shuttle a variety of molecules across cell membranes. The substrate transportation process is initiated by the ATP-driven dimerization of nucleotide binding domains (NBDs). Here, the integral-equation theory of liquids was applied to simulated NBD structures to analyze their dimerization process from the viewpoint of thermodynamics and the water-mediated interaction between the NBDs. It was found that a long-range hydration force of enthalpic origin drives the two NBDs to approach from a large separation. In the subsequent step, the water-mediated attraction of entropic origin brings about a structural adjustment between the two NBDs and their tighter contact.

Original languageEnglish
Pages (from-to)165-170
Number of pages6
JournalChemical Physics Letters
Volume616-617
DOIs
Publication statusPublished - 2014 Nov 25

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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    Furukawa-Hagiya, T., Yoshida, N., Chiba, S., Hayashi, T., Furuta, T., Sohma, Y., & Sakurai, M. (2014). Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter. Chemical Physics Letters, 616-617, 165-170. https://doi.org/10.1016/j.cplett.2014.10.038