Physical Chemistry

Site correlations, capacitance, and polarizability from protein protonisation fluctuations

Authors

  • Anže Božič Department of Theoretical Physics, Jozef Stefan Institute, Ljubljana, Slovenia ,
  • Rudolf Podgornik School of Physical Sciences and Kavli Institute for Theoretical Sciences, University of Chinese Academy of Sciences, Beijing, China

Abstract

We generalize the Kirkwood-Shumaker theory of protonisation fluctuation for an anisotropic distribution of dissociable charges on a globular protein. The fluctuations of the total charge and the total dipole moment, in contrast to their average values, depend on the same proton occupancy correlator, thus exhibiting a similar dependence also on the solution pH. This has important consequences for the Kirkwood-Shumaker interaction and its dependence on the bathing solution conditions.

Content

Thumbnail image of protonisation_fluctuation(3).pdf

Supplementary material

Thumbnail image of protonisation_fluctuation(4).pdf
Supplementary information
Supporting materials and methods