Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/1056
Type: Artigo de periódico
Title: Mapping the Intramolecular Vibrational Energy Flow in Proteins Reveals Functionally Important Residues
Author: MARTINEZ, Leandro
FIGUEIRA, Ana C. M.
WEBB, Paul
POLIKARPOV, Igor
SKAF, Munir S.
Abstract: Unveiling the mechanisms of energy relaxation in biomolecules is key to our understanding of protein stability, allostery, intramolecular signaling, and long-lasting quantum coherence phenomena at ambient temperatures. Yet, the relationship between the pathways of energy transfer and the functional role of the residues involved remains largely unknown. Here, we develop a simulation method of mapping out residues that are highly efficient in relaxing an initially localized excess vibrational energy and perform site-directed mutagenesis functional assays to assess the relevance of these residues to protein function. We use the ligand binding domains of thyroid hormone receptor (TR) subtypes as a test case and find that conserved arginines, which are critical to TR transactivation function, are the most effective heat diffusers across the protein structure. These results suggest a hitherto unsuspected connection between a residue`s ability to mediate intramolecular vibrational energy redistribution and its functional relevance.
Country: Estados Unidos
Editor: AMER CHEMICAL SOC
Citation: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, n.16, p.2073-2078, 2011
Rights: fechado
Identifier DOI: 10.1021/jz200830g
Address: http://dx.doi.org/10.1021/jz200830g
http://apps.isiknowledge.com/InboundService.do?Func=Frame&product=WOS&action=retrieve&SrcApp=EndNote&UT=000294076900020&Init=Yes&SrcAuth=ResearchSoft&mode=FullRecord
Date Issue: 2011
Appears in Collections:IQ - Artigos e Outros Documentos

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