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. 2023 May 10;13:7582. doi: 10.1038/s41598-023-34643-5

Figure 2.

Figure 2

Molecular docking between aptamers and modelled BamA protein. Molecular docking of (A) Apt31, (B) Apt33 and (C) HTO008 (White) to the modelled BamA protein. Apt31 bound to the lateral gate region of BamA, whereas Apt33 and HTO008 bound to the sites distant from the lateral gate. The Darobactin binding residues in the lateral gate that formed non-covalent interactions with Apt31 are highlighted (Blue).