Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase
Fig 2
Crystallographic AlaDH structure.
(a) Crystal structure of AlaDH bound to N6-methyl adenosine. Dashed circle demarcates the hydrophobic binding groove. (b) Close-up view of the nucleoside/inhibitor binding site. The electron density map is a polder omit map [48] at 3σ. (c) Crystal structure of AlaDH bound to NAD (PDB code 2VHX, [34]). Atom colors are red (oxygen), blue (nitrogen), yellow (ligand carbons) and gray (protein carbons). Hydrogen bonds are shown as dashed lines with distances in angstroms.