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. 2022 Jan 11;7(3):2798–2808. doi: 10.1021/acsomega.1c05569

Figure 2.

Figure 2

Active form of the dengue NS2B-NS3 protease complexed with myricetin. (A) Structure of the active form of the dengue protease with the significantly perturbed residues displayed in spheres. NS2B is colored in blue while NS3 in green. The catalytic triad residues His51-Asp75-Ser135 are displayed in purple spheres. (B) Lowest energy docking structures in the ribbon (I) and the electrostatic potential surface (II) of the active form of the protease complexed with myricetin at a new allosteric site (AS2). The β-strand is colored in purple and the loop in blue for NS2B, while the β-strand is in yellow, the helix in red, and the loop in green for NS3. Myricetin is displayed in spheres (I) and sticks (II), respectively.