Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
Ion mobility-mass spectrometry (IM-MS) unraveled different conformational stability in Zn(4–7)-metallothionein-2. We introduced a new molecular dynamics simulation approach that permitted the exploration of all of the conformational space confirming the experimental data, and revealed that not only...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10089061/ https://www.ncbi.nlm.nih.gov/pubmed/36960761 http://dx.doi.org/10.1039/d2cc06559b |
Sumario: | Ion mobility-mass spectrometry (IM-MS) unraveled different conformational stability in Zn(4–7)-metallothionein-2. We introduced a new molecular dynamics simulation approach that permitted the exploration of all of the conformational space confirming the experimental data, and revealed that not only the Zn–S bonds but also the α–β domain interactions modulate protein unfolding. |
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