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...

Descripción completa

Detalles Bibliográficos
Autores principales: Peris-Díaz, Manuel David, Barkhanskiy, Alexey, Liggett, Ellen, Barran, Perdita, Krężel, Artur
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
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
_version_ 1785022688549404672
author Peris-Díaz, Manuel David
Barkhanskiy, Alexey
Liggett, Ellen
Barran, Perdita
Krężel, Artur
author_facet Peris-Díaz, Manuel David
Barkhanskiy, Alexey
Liggett, Ellen
Barran, Perdita
Krężel, Artur
author_sort Peris-Díaz, Manuel David
collection PubMed
description 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.
format Online
Article
Text
id pubmed-10089061
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher The Royal Society of Chemistry
record_format MEDLINE/PubMed
spelling pubmed-100890612023-04-12 Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species Peris-Díaz, Manuel David Barkhanskiy, Alexey Liggett, Ellen Barran, Perdita Krężel, Artur Chem Commun (Camb) Chemistry 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. The Royal Society of Chemistry 2023-03-24 /pmc/articles/PMC10089061/ /pubmed/36960761 http://dx.doi.org/10.1039/d2cc06559b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Peris-Díaz, Manuel David
Barkhanskiy, Alexey
Liggett, Ellen
Barran, Perdita
Krężel, Artur
Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title_full Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title_fullStr Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title_full_unstemmed Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title_short Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
title_sort ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10089061/
https://www.ncbi.nlm.nih.gov/pubmed/36960761
http://dx.doi.org/10.1039/d2cc06559b
work_keys_str_mv AT perisdiazmanueldavid ionmobilitymassspectrometryandmoleculardynamicssimulationsunraveltheconformationalstabilityofzincmetallothionein2species
AT barkhanskiyalexey ionmobilitymassspectrometryandmoleculardynamicssimulationsunraveltheconformationalstabilityofzincmetallothionein2species
AT liggettellen ionmobilitymassspectrometryandmoleculardynamicssimulationsunraveltheconformationalstabilityofzincmetallothionein2species
AT barranperdita ionmobilitymassspectrometryandmoleculardynamicssimulationsunraveltheconformationalstabilityofzincmetallothionein2species
AT krezelartur ionmobilitymassspectrometryandmoleculardynamicssimulationsunraveltheconformationalstabilityofzincmetallothionein2species

Ejemplares similares