Article
Mechanistic insights into the conformational switch in profilin-1 subject to collective effects of mutation and histidine tautomerism.
International journal of biological macromolecules - 1 Mar 2023
Muneeswaran Gurusamy, Lee Jin Yong
Abstract excerpt
Mutations and histidine (His) tautomerism in profilin-1 (PFN1) are associated with amyotrophic lateral sclerosis (ALS). The conformational changes in PFN1 caused by the collective effects of G117V mutation and His tautomeric isomers εε, εδ, δε, and δδ were clarified using molecular dynamics (MD) simulations. The predominant structural variations were seen in α-helices, β-sheets, turns, and coils and the His...
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