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    Proc Natl Acad Sci U S A. 2002 Oct 29;99(22):14116-21. Epub 2002 Oct 15.

    A simple physical model for binding energy hot spots in protein-protein complexes.

    Source

    Howard Hughes Medical Institute and Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.

    Abstract

    Protein-protein recognition plays a central role in most biological processes. Although the structures of many protein-protein complexes have been solved in molecular detail, general rules describing affinity and selectivity of protein-protein interactions do not accurately account for the extremely diverse nature of the interfaces. We investigate the extent to which a simple physical model can account for the wide range of experimentally measured free energy changes brought about by alanine mutation at protein-protein interfaces. The model successfully predicts the results of alanine scanning experiments on globular proteins (743 mutations) and 19 protein-protein interfaces (233 mutations) with average unsigned errors of 0.81 kcal/mol and 1.06 kcal/mol, respectively. The results test our understanding of the dominant contributions to the free energy of protein-protein interactions, can guide experiments aimed at the design of protein interaction inhibitors, and provide a stepping-stone to important applications such as interface redesign.

    PMID:
    12381794
    [PubMed - indexed for MEDLINE]
    PMCID: PMC137846
    Free PMC Article

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