Fig. 3. Active site of CgDHQD.
The active site of CgDHQD. The Fo−Fc electron density map is displayed as a purple mesh contoured at 3.5σ. (A) The complexed form with the substrate. The catalytic pocket of CgDHQD with DHQ is shown as a stick model colored in magenta. DHQ and glycerol are colored in white. (B) The general complex form with citrate. The catalytic pocket of CgDHQD with the general citrate complexed form is shown by colored green. The yellow citrate molecule is prepared from Helicobacter pylori (PDB code: 2C4V) by alpha carbon alignment with CgDHQD. (C) The uncommon complexed form with citrate. The uncommon catalytic pocket of the CgDHQD-complexed form is shown and colored in cyan. The lid loop and neighboring chains of the figures are colored in orange and white, respectively. The yellow dotted line indicates the polar interaction contributing to the binding chemicals.