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Proc Natl Acad Sci U S A. 2007 Dec 11;104(50):19825-30. Epub 2007 Dec 5.

Consequences of localized frustration for the folding mechanism of the IM7 protein.

Author information

1
Department of Physics, University of Milan, Via Celoria 16, 20133 Milan, Italy.

Abstract

In the laboratory, IM7 has been found to have an unusual folding mechanism in which an "on-pathway" intermediate with nonnative interactions is formed. We show that this intermediate is a consequence of an unusual cluster of highly frustrated interactions in the native structure. This cluster is involved in the binding of IM7 to its target, Colicin E7. Redesign of residues in this cluster to eliminate frustration is predicted by simulations to lead to faster folding without the population of an intermediate ensemble.

PMID:
18077415
PMCID:
PMC2148258
DOI:
10.1073/pnas.0709922104
[Indexed for MEDLINE]
Free PMC Article

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