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Specific ion binding to nonpolar surface patches of proteins

Lund, Mikael LU orcid ; 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.
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author
; and
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
in
Journal of the American Chemical Society
volume
130
issue
35
pages
3 - 11582
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:51349165268
  • pmid:18686949
ISSN
1520-5126
DOI
10.1021/ja803274p
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
57cf5bee-d4eb-4a16-8619-b171a8a4d40b (old id 7763555)
alternative location
http://www.ncbi.nlm.nih.gov/pubmed/18686949
date added to LUP
2016-04-01 13:57:17
date last changed
2023-01-04 01:50:41
@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}},
  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}},
  language     = {{eng}},
  number       = {{35}},
  pages        = {{3--11582}},
  publisher    = {{The American Chemical Society (ACS)}},
  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}},
  doi          = {{10.1021/ja803274p}},
  volume       = {{130}},
  year         = {{2008}},
}