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. 2020 Apr 30;11:534. doi: 10.3389/fphar.2020.00534

Figure 7.

Figure 7

Structures and dynamics of ITGAV and ITGA2. (A) The structure of ITGAV including the β-propeller, Thigh, Calf-1, and Calf-2 domains, and the most druggable pocket (purple), which is located along the outer side of the β-barrel. (B) The binding poses by docking Levothyroxine into the most druggable pocket of ITGAV. Levothyroxine and interacting residues are represented as colored sticks. (C) The structure of ITGA2 including the I-, β-propeller, Thigh, Calf-1, and Calf-2 domains, and the most druggable pocket (purple), which is located at the hole of the β-barrel; the binding pose with Levothyroxine and this pocket is shown in (D). (E) The shapes of first and second GNM modes of ITGAV. The minimum of the shapes indicate the hinge region, which corresponds to the structure in dark blue. Mode 1 predicts Asn455, Ser471, Arg553, and Gly594 within the Thigh domain are hinge sites (red arrows). (F) The shape of the first GNM mode of ITGA2, where the region of Phe681 to Ser737 within the Thigh domain was predicted to contain hinge sites (red circle).