Issue 30, 2023

Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species

Abstract

Ion mobility-mass spectrometry (IM-MS) unraveled different conformational stability in Zn4–7-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.

Graphical abstract: Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species

Supplementary files

Article information

Article type
Communication
Submitted
01 12 2022
Accepted
10 2 2023
First published
24 3 2023
This article is Open Access
Creative Commons BY license

Chem. Commun., 2023,59, 4471-4474

Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species

M. D. Peris-Díaz, A. Barkhanskiy, E. Liggett, P. Barran and A. Krężel, Chem. Commun., 2023, 59, 4471 DOI: 10.1039/D2CC06559B

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