Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement

We report the solution NMR structure of a designed dimetal-binding protein, di-Zn(II) DFsc, along with a secondary refinement step employing molecular dynamics techniques. Calculation of the initial NMR structural ensemble by standard methods led to distortions in the metal-ligand geometries at the...

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Main Authors: Calhoun, Jennifer R., Liu, Weixia, Spiegel, Katrin, Dal Peraro, Matteo, Klein, Michael L., Valentine, Kathleen G., Wand, A. Joshua, DeGrado, William F.
Format: Artigo
Sprog:Inglês
Udgivet: 2008
Fag:
Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3814030/
https://ncbi.nlm.nih.gov/pubmed/18275812
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.str.2007.11.011
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