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Fig. 5
The crystallographic structure of PTP1B molecular docking related five oligosaccharides. Hydrogen bond of gentiobiose binding to the catalytic active sites of PTP1B Pro180, Cys215, and Ala217 residue of the catalytic WPD loop, catalytic domain, and catalytic loop, respectively (A). Melibiose showed ligand binding to Cys215 of the catalytic domain and Arg221 of the catalytic loop (B). Pro180 and Cys215 of the catalytic WPD loop and catalytic domain were bound to raffinose with hydrogen bonding (C). Neokestose and sophorotriose were not bound to any of the active residues (D).
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