Figure 5. X-ray crystal structures of fragments forming specific hydrogen and/or halogen bonds with PHGDH.
Crystal structures of bound fragment 5 (A. and B., 1.53 Å resolution), 14 (C. and D., 1.53 Å resolution), 15 (E. and F., 1.53 Å resolution) and 16 (G. and H., 1.33 Å resolution) are shown. The Fo-Fc omit electron density maps are shown as green wire at contour levels of 0.5 electrons/Å3. The left-hand panels show the protein as a grey ribbon representation with selected side-chains drawn as sticks with carbon atoms in grey. The right-hand panels show the protein surface coloured by electrostatic potential.