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The energy cost of polypeptide knot formation and its folding consequences

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dc.contributor.author Bustamante, Andrés
dc.contributor.author Sotelo-Campos, Juan
dc.contributor.author Guerra Giraldez, Daniel
dc.contributor.author Floor, Martin
dc.contributor.author Wilson, Christian A. M.
dc.contributor.author Bustamante, Carlos
dc.contributor.author Báez, Mauricio
dc.date.accessioned 2019-01-25T16:03:21Z
dc.date.available 2019-01-25T16:03:21Z
dc.date.issued 2017
dc.identifier.uri https://hdl.handle.net/20.500.12866/4775
dc.description.abstract Knots are natural topologies of chains. Yet, little is known about spontaneous knot formation in a polypeptide chain-an event that can potentially impair its folding-and about the effect of a knot on the stability and folding kinetics of a protein. Here we used optical tweezers to show that the free energy cost to form a trefoil knot in the denatured state of a polypeptide chain of 120 residues is 5.8 ± 1 kcal mol-1. Monte Carlo dynamics of random chains predict this value, indicating that the free energy cost of knot formation is of entropic origin. This cost is predicted to remain above 3 kcal mol-1 for denatured proteins as large as 900 residues. Therefore, we conclude that naturally knotted proteins cannot attain their knot randomly in the unfolded state but must pay the cost of knotting through contacts along their folding landscape. en_US
dc.language.iso eng
dc.publisher Springer Nature
dc.relation.ispartofseries Nature Communications
dc.rights info:eu-repo/semantics/restrictedAccess
dc.rights.uri https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject Models, Molecular en_US
dc.subject Protein Folding en_US
dc.subject Thermodynamics en_US
dc.subject Bacteriophages/metabolism en_US
dc.subject Monte Carlo Method en_US
dc.subject Optical Tweezers en_US
dc.subject Protein Conformation en_US
dc.subject Protein Denaturation en_US
dc.subject Viral Proteins/chemistry/genetics en_US
dc.title The energy cost of polypeptide knot formation and its folding consequences en_US
dc.type info:eu-repo/semantics/article
dc.identifier.doi https://doi.org/10.1038/s41467-017-01691-1
dc.subject.ocde https://purl.org/pe-repo/ocde/ford#1.06.03
dc.subject.ocde https://purl.org/pe-repo/ocde/ford#1.04.00
dc.subject.ocde https://purl.org/pe-repo/ocde/ford#1.03.00
dc.relation.issn 2041-1723


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