Definition of the Acceptor Substrate Binding Specificity in Plant Xyloglucan Endotransglycosylases Using Computational Chemistry.

Int J Mol Sci · 2022 · PMC9569819 · PMID 36233140

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a decreasing trendno p-value reported

The XG-OS acceptors ( Table 1 ) docked in the acceptor site of PttXET16A exhibited a decreasing trend in docking score parameters with the increasing galactosylation of the acceptor side XG chains [XG-OS7 (−6.79 kcal/mol) > XG-OS8 (−7.01 kcal/mol) > XG-OS9 (−7.96 kcal/mol)], while in TmXET6.3, XG-OS8 had the lowest score of −6.86 kcal/mol, followed by XG-OS7 (−6.71 kcal/mol), and XG-OS9 (−6.54 kcal/mol).

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