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. 2019 Nov 6;8(11):477. doi: 10.3390/plants8110477

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© 2019 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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(a) Docked pose of rigid isovitexin 2″-O-gallate (2) in the MtPknG binding site, showing molecular interactions—hydrogen and hydrophobic bonds as green and pink/purple dashed lines, respectively; (b) 2D plot of interactions between (2) and key residues of MtPknG generated by BIOVIA Discovery Studio visualizer. The solvent accessible surface is depicted as a background grey circle with the radius proportional to the exposure. (c) Docked pose of flexible isovitexin 2″-O-gallate (2) in the MtPknG binding site showing molecular interactions—hydrogen and hydrophobic bonds as green and pink/purple dashed lines, respectively; (d) 2D plot of interactions between (2) and key residues of MtPknG generated by BIOVIA Discovery Studio visualizer. The solvent accessible surface is depicted as a background grey circle with the radius proportional to the exposure.