Figure 6
E82I PaDsbA1 binds several small molecules directly at its active site. (a) Three small molecules, MES (green) and glycerol (GOL; pink), are clearly resolved in the electron-density map of crystal 2 and make hydrogen-bond interactions with the CPHC active site and loops of the PaDsbA1 active-site surface (L1 linking β3 and H2, cis-Pro L2 linking H6 and β4, and L3 linking β5 and H7). The 2Fo − Fc electron-density maps for each molecule were generated from calculated phases using phenix.maps and are shown contoured at 1.0σ. The maps are shown within a 1 Å radius of each atom of MES or glycerol. (b) LIGPLOT representation of the environment of MES and (c, d) neighbouring glycerols in crystal 2. |