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Structure of a low-population binding intermediate in protein-RNA recognition

Borkar, Aditi N.; Bardaro, Michael F.; Camilloni, Carlo; Aprile, Francesco A.; Varani, Gabriele; Vendruscolo, Michele


Michael F. Bardaro

Carlo Camilloni

Francesco A. Aprile

Gabriele Varani

Michele Vendruscolo


All biochemical reactions in living organisms require molecular recognition events. In particular, the interactions between protein and RNA molecules are crucial in the regulation of gene expression. However, the transient nature of the conformations populated during the recognition process has prevented a detailed characterization of the mechanisms by which these interactions take place. To address this problem, we report a high-resolution structure of an intermediate state in protein-RNA recognition. We determined this structure by using NMR measurements as ensemble-averaged structural restraints in metadynamics simulations, and validated it by performing a structure-based design of two mutants with rationally modified binding rates.


Borkar, A. N., Bardaro, M. F., Camilloni, C., Aprile, F. A., Varani, G., & Vendruscolo, M. (2016). Structure of a low-population binding intermediate in protein-RNA recognition. Proceedings of the National Academy of Sciences, 113(26), 7171-7176.

Journal Article Type Article
Acceptance Date Apr 29, 2016
Online Publication Date Jun 10, 2016
Publication Date Jun 28, 2016
Deposit Date Oct 1, 2020
Journal Proceedings of the National Academy of Sciences
Print ISSN 0027-8424
Electronic ISSN 1091-6490
Publisher National Academy of Sciences
Peer Reviewed Peer Reviewed
Volume 113
Issue 26
Pages 7171-7176
Keywords Multidisciplinary
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