Article
The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation.
Structure (London, England : 1993) - 1 May 2008
Zachariae Ulrich, Schneider Robert, Velisetty Phanindra, Lange Adam, Seeliger Daniel, Wacker Sören J, Karimi-Nejad Yasmin, Vriend Gert, Becker Stefan, Pongs Olaf, Baldus Marc, de Groot Bert L
Abstract excerpt
Recently, a solid-state NMR study revealed that scorpion toxin binding leads to conformational changes in the selectivity filter of potassium channels. The exact nature of the conformational changes, however, remained elusive. We carried out all-atom molecular dynamics simulations that enabled us to cover the complete pathway of toxin approach and binding, and we validated our simulation results by using...
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