Article
The scorpion toxin BeKm-1 blocks hERG cardiac potassium channels using an indispensable arginine residue.
FEBS letters - 1 Apr 2024
Zavarzina Iana I, Kuzmenkov Alexey I, Dobrokhotov Nikita A, Maleeva Ekaterina E, Korolkova Yuliya V, Peigneur Steve, Tytgat Jan, Krylov Nikolay A, Vassilevski Alexander A, Chugunov Anton O
Abstract excerpt
BeKm-1 is a peptide toxin from scorpion venom that blocks the pore of the potassium channel hERG (Kv11.1) in the human heart. Although individual protein structures have been resolved, the structure of the complex between hERG and BeKm-1 is unknown. Here, we used molecular dynamics and ensemble docking, guided by previous double-mutant cycle analysis data, to obtain an in silico model of the hERG-BeKm-1 complex....
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