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Specific ion binding to nonpolar surface patches of proteins

Lund, Mikael LU ; Vrbka, Lubos and Jungwirth, Pavel (2008) In Journal of the American Chemical Society 130(35). p.3-11582
Abstract
Employing detailed atomistic modeling we study the mechanisms behind ion binding to proteins and other biomolecules and conclude that (1) small, hard ions bind via direct ion pairing to charged surface groups and (2) large, soft ions bind to nonpolar groups via a solvent assisted attraction. Our predictions are in qualitative agreement with bulk solution data and may provide an important clue for the basic understanding of ion-specific effects in biological systems.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to specialist publication or newspaper
publication status
published
subject
keywords
Ions, Ions: chemistry, Models, Molecular, Muramidase, Muramidase: chemistry, Potassium Chloride, Muramidase: metabolism, Potassium Iodide, Potassium Chloride: chemistry, Potassium Iodide: chemistry, Protein Binding, Surface Properties, Water: chemistry, Water
categories
Popular Science
in
Journal of the American Chemical Society
volume
130
issue
35
pages
3 - 11582
publisher
The American Chemical Society
external identifiers
  • scopus:51349165268
ISSN
1520-5126
DOI
10.1021/ja803274p
language
English
LU publication?
yes
id
57cf5bee-d4eb-4a16-8619-b171a8a4d40b (old id 7763555)
alternative location
http://www.ncbi.nlm.nih.gov/pubmed/18686949
date added to LUP
2015-08-21 15:51:47
date last changed
2017-10-22 04:13:23
@misc{57cf5bee-d4eb-4a16-8619-b171a8a4d40b,
  abstract     = {Employing detailed atomistic modeling we study the mechanisms behind ion binding to proteins and other biomolecules and conclude that (1) small, hard ions bind via direct ion pairing to charged surface groups and (2) large, soft ions bind to nonpolar groups via a solvent assisted attraction. Our predictions are in qualitative agreement with bulk solution data and may provide an important clue for the basic understanding of ion-specific effects in biological systems.},
  author       = {Lund, Mikael and Vrbka, Lubos and Jungwirth, Pavel},
  issn         = {1520-5126},
  keyword      = {Ions,Ions: chemistry,Models,Molecular,Muramidase,Muramidase: chemistry,Potassium Chloride,Muramidase: metabolism,Potassium Iodide,Potassium Chloride: chemistry,Potassium Iodide: chemistry,Protein Binding,Surface Properties,Water: chemistry,Water},
  language     = {eng},
  number       = {35},
  pages        = {3--11582},
  publisher    = {The American Chemical Society},
  series       = {Journal of the American Chemical Society},
  title        = {Specific ion binding to nonpolar surface patches of proteins},
  url          = {http://dx.doi.org/10.1021/ja803274p},
  volume       = {130},
  year         = {2008},
}