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Hydration number, topological control, and ion selectivity

Journal Article


Abstract


  • The topological control hypothesis presented by Bostick and Brooks [Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 9260] has sought to explain binding selectivity in potassium channels based on the premise that a universal measure of ion solvation in different environments is provided by its average coordination structure in bulk water. This leads to the view that ion selectivity is predominantly controlled by the number of ligands coordinating the ion and that the chemical type of those ligands plays a minor role. The significance of the topological control hypothesis and its ability to predict ion selectivity in protein binding sites are examined. It is shown that the framework encounters increasing difficulties when different protein binding sites with similar coordination numbers are considered.

Authors


  •   Yu, Haibo
  •   Noskov, Sergei Y. (external author)
  •   Roux, Benoit (external author)

Publication Date


  • 2009

Citation


  • Yu, H., Noskov, S. Yu. & Roux, B. (2009). Hydration number, topological control, and ion selectivity. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 113 (25), 8725-8730.

Scopus Eid


  • 2-s2.0-67649205728

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/5024

Has Global Citation Frequency


Number Of Pages


  • 5

Start Page


  • 8725

End Page


  • 8730

Volume


  • 113

Issue


  • 25

Abstract


  • The topological control hypothesis presented by Bostick and Brooks [Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 9260] has sought to explain binding selectivity in potassium channels based on the premise that a universal measure of ion solvation in different environments is provided by its average coordination structure in bulk water. This leads to the view that ion selectivity is predominantly controlled by the number of ligands coordinating the ion and that the chemical type of those ligands plays a minor role. The significance of the topological control hypothesis and its ability to predict ion selectivity in protein binding sites are examined. It is shown that the framework encounters increasing difficulties when different protein binding sites with similar coordination numbers are considered.

Authors


  •   Yu, Haibo
  •   Noskov, Sergei Y. (external author)
  •   Roux, Benoit (external author)

Publication Date


  • 2009

Citation


  • Yu, H., Noskov, S. Yu. & Roux, B. (2009). Hydration number, topological control, and ion selectivity. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 113 (25), 8725-8730.

Scopus Eid


  • 2-s2.0-67649205728

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/5024

Has Global Citation Frequency


Number Of Pages


  • 5

Start Page


  • 8725

End Page


  • 8730

Volume


  • 113

Issue


  • 25