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Scattered Hammond plots reveal second level of site-specific information in protein folding: ′ (β‡)
Umeå University, Faculty of Science and Technology, Chemistry.
Umeå University, Faculty of Science and Technology, Chemistry.
2004 (English)In: Proceedings of the National Academy of Sciences of the United States of America PNAS, Vol. 101, no 20, 7606–11- p.Article in journal (Refereed) Published
Abstract [en]

Site-specific information about structural heterogeneities of the protein-folding transition-state ensemble is commonly derived from the scatter of the Brønsted plot through the individual values of = Δlogkf/ΔlogKD-N. Here, we provide a second level of site-specific detail in the transition-state analysis by demonstrating that the scatter of the Hammond plot is related to heterogeneities in the -value growth. That is, the extent of transition-state movement (Δβ‡) is proportional to the free-energy gradient of the mutational perturbation across the top of the activation barrier, ′(β‡) ΔlogKD-N. The analysis is applied to the two-state protein L23 where the site-specific free-energy gradients are used to identify the interactions that show the highest degree of consolidation after crossing the barrier top. These interactions are distributed as a shell around the high- initiation point and denote the side-chain contacts that add criticality to the folding nucleus.

Place, publisher, year, edition, pages
2004. Vol. 101, no 20, 7606–11- p.
Keyword [en]
transition state, protein engineering, -value analysis, Brønsted plot, Hammond behavior
Identifiers
URN: urn:nbn:se:umu:diva-14792DOI: doi:10.1073/pnas.0308497101OAI: oai:DiVA.org:umu-14792DiVA: diva2:154464
Available from: 2007-06-18 Created: 2007-06-18 Last updated: 2011-01-12Bibliographically approved

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