Supplemental Files for Dalton et al: The Dynamic Conformational Cycle of the Group I Chaperonin C-Termini Revealed Via Molecular Dynamics Simulation

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Abstract/Contents

Abstract: Chaperonins are large ring shaped oligomers that facilitate protein folding by encapsulation within a central cavity. All chaperonins possess flexible C-termini which protrude from the equatorial domain of each subunit into the central cavity. Biochemical evidence suggests that the termini play an important role in the allosteric regulation of the ATPase cycle, in substrate folding and in complex assembly and stability. Despite the tremendous wealth of structural data available for numerous orthologous chaperonins, little structural information is available about the residues within C-terminus. Herein, molecular dynamics simulations are presented which localize the termini throughout the nucleotide cycle of the group I chaperonin, GroE, from Escherichia coli. The simulation results predict that the termini undergo a heretoforef unappreciated conformational cycle which is coupled to the nucleotide state of the enzyme. As such, these results have profound implications for the mechanism by which GroE utilizes nucleotide and folds client proteins.

Type of resource	software, multimedia
Date created	2014

Subject	protein
Subject	molecular dynamics
Subject	chaperonin
Subject	groel
Subject	Stanford Biophysics
Subject	Stanford Department of Biology
Subject	Stanford Department of Chemistry
Genre	Dataset

Related Publication	Dalton KM, Frydman J, Pande VS (2015) The Dynamic Conformational Cycle of the Group I Chaperonin C-Termini Revealed via Molecular Dynamics Simulation. PLoS ONE 10(3): e0117724. doi: 10.1371/journal.pone.0117724
Location	https://purl.stanford.edu/pn220pz6353

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Preferred Citation: Dalton KM and Frydman J and Pande VS. (2014). Supplemental Files for Dalton et al: The Dynamic Conformational Cycle of the Group I Chaperonin C-Termini Revealed Via Molecular Dynamics Simulation. Stanford Digital Repository. Available at: http://purl.stanford.edu/pn220pz6353

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