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Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations.

Abstract:

We have performed simulations of both a single potassium ion and a single sodium ion within the pore of the bacterial potassium channel KcsA. For both ions there is a dehydration energy barrier at the cytoplasmic mouth suggesting that the crystal structure is a closed conformation of the channel. There is a potential energy barrier for a sodium ion in the selectivity filter that is not seen for potassium. Radial distribution functions for both ions with the carbonyl oxygens of the selectivity...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
Shrivastava, I More by this author
Sansom, MS More by this author
Journal:
Biochimica et biophysica acta
Volume:
1510
Issue:
1-2
Pages:
1-9
Publication date:
2001-02-05
DOI:
ISSN:
0006-3002
URN:
uuid:9e7104a9-4fe3-4b6d-b786-e6a236a9d9f3
Source identifiers:
99917
Local pid:
pubs:99917

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