Networks of Coupled Rotators: Relationship between Structures and Internal Dynamics in Metal-Binding Proteins. Applications to apo- and holo-Calbindin

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• 作者：Anne Dhulesia ; Daniel Abergel ; Geoffrey Bodenhausen
• 刊名：Journal of the American Chemical Society
• 出版年：2007
• 出版时间：April 25, 2007
• 年：2007
• 卷：129
• 期：16
• 页码：4998 - 5006
• 全文大小：413K
• 年卷期：v.129,no.16(April 25, 2007)
• ISSN：1520-5126

文摘

This article presents an analysis of the internal dynamics of the Ca²⁺-binding protein calbindin,based on the Networks of Coupled Rotators (NCRs) introduced recently. Several fundamental and practicalissues raised by this approach are investigated. The roles of various parameters of the model are examined.The NCR model is shown to account for the modifications of the internal dynamics upon Ca²⁺ binding bycalbindin. Two alternative strategies to estimate local internal effective correlation times of the protein areproposed, which offer good agreement between predictions and experiment.