Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle

Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle

The toxicity of botulinum multi-domain neurotoxins (BoNTs) arises from a sequence of molecular events, in which the translocation of the catalytic domain through the membrane of a neurotransmitter vesicle plays a key role. A recent structural study of the translocation domain of BoNTs suggests that...

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Bibliographic Details
Main Authors: Alexandre Delort, Grazia Cottone, Thérèse E. Malliavin, Martin Michael Müller
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:International Journal of Molecular Sciences
Subjects:
<i>Clostridium botulinum</i>
botulinum toxin
molecular dynamics
residue protonation
mesoscopic <i>Twister</i> model
hydrophobicity
Online Access:https://www.mdpi.com/1422-0067/25/5/2481

Internet

https://www.mdpi.com/1422-0067/25/5/2481

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