Figure 1.
Active-site architecture of InhA in tripartite structure containing NAD+ (cyan) and C-16 acyl-substrate analogue (dark cyan) (PDB code 1BVR (3)). Tyrosine 158 (green) is positioned for hydrogen bonding with the carbonyl of the acyl-thioester and the hydroxyl group of the NAD+ ribose. Threonine 196 (green) is positioned below the carboxamide of NAD+ and within hydrogen bond distance to the β-phosphate and a water molecule, which is positioned below the Cα of the substrate