Publication: Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins
Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins
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Romero-Isart, N., Oliva, B., & Vašák, M. (2010). Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins. Journal of Molecular Modeling, 16, 387–394. https://doi.org/10.1007/s00894-009-0542-x
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Mammalian metallothioneins ([Formula: see text]) show a clustered arrangement of the metal ions and a nonregular protein structure. The solution structures of Cd(3)-thiolate cluster containing beta-domain of mouse beta-MT-1 and rat beta-MT-2 show high structural similarities, but widely differing structure dynamics. Molecular dynamics simulations revealed a substantially increased number of NH-Sgamma hydrogen bonds in beta-MT-2, features likely responsible for the increased stability of the Cd(3)-thiolate cluster and the enfolding pro
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- Romero-Isart, N
- Oliva, B
- Vašák, M
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Citations
Romero-Isart, N., Oliva, B., & Vašák, M. (2010). Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins. Journal of Molecular Modeling, 16, 387–394. https://doi.org/10.1007/s00894-009-0542-x
