Residues interacting with Monocyclinin in the deep binding pocket of the monomer of the AcrB trimer. Binding of the substrate molecules is mainly achieved by aromatic stacking interactions and polar interactions by the indicated side chains. Residues interacting with MBX2931 inhibitor in the deep binding pocket of the monomer of the AcrB trimer. Binding of the inhibitor molecules is mainly achieved by aromatic stacking interactions and polar interactions by the indicated side chains. MBX reach deep into the pocket creating stable interactions than monocyclin or doxorubicin.
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