Figure 7 | Scientific Reports

Figure 7

From: First crystal structures of 1-deoxy-d-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization

Figure 7

Docking of the hydroxybenzaldoxime 1 to ∆MtDXPS. (a) Hydroxybenzaldoxime 1 docked in the active site of ∆MtDXPS with cofactor ThDP bound (PDB ID: 7A9H). The pose of the docked molecule with the highest affinity score, as calculated by HYDE, is shown in pink and the predicted interacting residues are shown in stick presentation and are labeled. Hydrogen bonds are shown as black, dotted lines with distances indicated in Ångström. (b) 2-Dimensional ligand interaction plot of Hydroxybenzaldoxime 1 with ∆MtDXPS.

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