Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 104, Issue 50, Pages 19825-19830Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0709922104
Keywords
computational design; folding landscape; nonnative intermediate
Categories
Funding
- NIGMS NIH HHS [R01 GM044557, P01 GM071862, P01GM071862, R01GM44557] Funding Source: Medline
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in the laboratory, IM7 has been found to have an unusual folding mechanism in which an on-pathway intermediate with normative interactions is formed. We show that this intermediate is a consequence of an unusual clusterof 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.
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