Molecular Dynamics Study of the Cu2+ Binding-Induced “Structuring” of the N-Terminal Domain of Human Prion Protein
作者： Gianni Valensin , Elena Molteni , Daniela Valensin , Magdalena Taraszkiewicz , Henryk Kozlowski
DOI: 10.1021/JP901030A
关键词:
摘要: In this work, we report molecular dynamics simulations on a fragment of the human prion protein spanning residues 31-120, with copper(II) bound to repeat region in several ways corresponding known intra- and inter-repeat coordination modes, or metal site located at His111. The results study point different structuring tendency depending copper binding mode, highest degree case intrarepeat Cu(II) high concentration.
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