A Novel Method for Identifying Parkin Binding Agents in Complex Preparations of Herbal Medicines

Figure 8

Docking analysis of parkin (PDB ID: 4K95) with the seven hit compounds. (a, b) Overall presentations of the binding sites of the seven hit compounds. The parkin protein (a) and surface (b) modes. The ball-and-stick modes with different colors represent the compounds. Different colors illustrate the parkin Ubl, RING0, RING1, IBR, REP, and RING2 domains. (c–i) Close-up views of the seven compounds interacting with parkin. The protein was shown in cartoon mode, while the compounds and coordinated amino acids were shown in ball-and-stick mode. The purple dashed lines with distances (Å) represent hydrogen bonds, while gray dashed lines represent hydrophobic interactions.

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