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ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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Claim

The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis

Research datakeyboard_double_arrow_right Dataset 01 Jan 2023Embargo end date: 21 Aug 2023 English Publisher:Zenodo
Authors: Michael Eichenberger; Thomas Schwander; Sean Hüppi; Jan Kreuzer; Peer R. E. Mittl; Francesca Peccati; Gonzalo Jiménez-Osés; +2 Authors

doi: 10.5281/zenodo.8069428 , 10.5281/zenodo.8069429

The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis

Abstract

Electronic energies, entropies, enthalpies, Gibbs free energies, and lowest frequencies of the QM-calculated structures (QM_Energies.xlsx). Gaussian 16 input and output files, and optimized geometries in MOL2 format, for all QM-calculated structures (QM_calculations.zip). Input coordinates, topology file (in Amber and PDB formats) and output geometries (in PDB format) for the Molecular Dynamics equilibration of the GST-GSH-flav-3-on-4-ol (7) ternary complex (MD_equilibration.zip). Optimized geometries for the PtGSTF8-catalyzed deprotonation-protonation reaction: flavan-3-on-4-ol (7), transition state for deprotonation (7-TS), deprotonation product (8-enolate) and cyanidin (8-B4) bound to the wildtype enzyme and the C13S variant (QMMM_optimized_structures.zip).

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