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. 2023 Mar 13;19(6):1731–1747. doi: 10.7150/ijbs.78554

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Predicted binding mode of CM728 with Prdx1. A, Surface representation of the sulfiredoxin 1 (Srx1)-Prdx1 complex, illustrating the binding site interface and backside interfaces (blue surface). In this view the CM728 is interacting with the Prdx1 (green-ligth surface) and less with Srx1 (yellow surface). B, Individual interactions between CM728 and amino acid residues 4 Å around the ligand, highlighting the interactions with the residues Cys43 and TRP177. C, Binding mode of CM728 (gray sticks) into Prdx1 binding site interface (PDB code: 3HY2) represented as green-light surface. Only the main residues are displayed (sticks) and labeled.