Figure 1. Structure of S. pneumoniae NanA.
A. The β-strands are shown in cyan, α-helices in yellow, and connecting loops in magenta. The inhibitor NANA is shown as a stick model, in black for carbon atoms. B. The final 2Fo–Fc electron density at 1.7 Å resolution for the inhibitor NANA, contoured at 1σ, in a boat conformation. C. Stereo drawing showing detailed interactions between NANA (black) or DANA (orange) with the active site of NanA. D. Molecular surface of NanA in the active region, colored by electrostatic potential with NANA. The figures were created with PyMOL [32] and Grasp [33].
