Fig. 2: Mtb PanD–POA interaction in the X-ray crystal structure.
From: The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD
a POA binds Mtb PanD tetramer. The four subunits are shown in tan/silver, blue/cyan, orange/yellow, and magenta/pink. POA, shown in ball-and-stick, is bound to the active site at the interface of two PanD subunits. b Close up of the POA binding site. POA is shown with ball-and-stick with carbon in gold. The green mesh shows the polder omit map around POA at 3.5 σ. Hydrogen bonds around POA are shown in dash lines. c The view is turned 60° vertically. d, e 6-Cl-POA polder omit electron density. The PanD:6-Cl-POA is shown in the same view as PanD:POA in Fig. 2b, c. f POA shows extensive hydrogen bonding interactions with Mtb PanD. The interactions were analyzed and rendered with LigPlot+ 27.
