Computational Design of the Sequence and Structure of a Protein-Binding Peptide

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• 作者：Deanne W. Sammond ; Dustin E. Bosch ; Glenn L. Butterfoss ; Carrie Purbeck ; Mischa Machius ; David P. Siderovski ; Brian Kuhlman
• 刊名：Journal of the American Chemical Society
• 出版年：2011
• 出版时间：March 30, 2011
• 年：2011
• 卷：133
• 期：12
• 页码：4190-4192
• 全文大小：736K
• 年卷期：v.133,no.12(March 30, 2011)
• ISSN：1520-5126

文摘

The de novo design of protein-binding peptides is challenging because it requires the identification of both a sequence and a backbone conformation favorable for binding. We used a computational strategy that iterates between structure and sequence optimization to redesign the C-terminal portion of the RGS14 GoLoco motif peptide so that it adopts a new conformation when bound to G伪_i1. An X-ray crystal structure of the redesigned complex closely matches the computational model, with a backbone root-mean-square deviation of 1.1 脜.