Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking

Figure 7

(a) Interaction of EMB-1 ligand with active site amino acids of Mtb-RmlA model. (b) Interaction of EMB ligand with active site amino acids of Mtb-RmlA model. (c) Interaction of natural substrate (Glc-1-P) with active site amino acids of Mtb-RmlA model. Built model of Mtb-RmlA is represented in cartoon. Ligands and the residues interacting with ligands are represented by sticks.

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