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 - Nov 25 2014

Fingerprint

transporter
ATP-Binding Cassette Transporters
nucleotides
strokes
Nucleotides
Water
Dimerization
water
adenosine triphosphate
dimerization
Adenosine Triphosphate
Cell membranes
Hydration
Integral equations
attraction
hydration
integral equations
Thermodynamics
adjusting
Molecules

All Science Journal Classification (ASJC) codes

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

Cite this

Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter. / Furukawa-Hagiya, Tomoka; Yoshida, Norio; Chiba, Shuntaro; Hayashi, Tomohiko; Furuta, Tadaomi; Sohma, Yoshiro; Sakurai, Minoru.

In: Chemical Physics Letters, Vol. 616-617, 25.11.2014, p. 165-170.

Research output: Contribution to journalArticle

Furukawa-Hagiya, Tomoka ; Yoshida, Norio ; Chiba, Shuntaro ; Hayashi, Tomohiko ; Furuta, Tadaomi ; Sohma, Yoshiro ; Sakurai, Minoru. / Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter. In: Chemical Physics Letters. 2014 ; Vol. 616-617. pp. 165-170.
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