Figure 2
From: In silico panning for a non-competitive peptide inhibitor
Defining a docking box next to the glucose-binding site. The 3D structure of water-soluble quinoprotein glucose dehydrogenase from Acinetobacter calcoaceticus (PQQGDH: PDB entry code 1CQ1) is shown in gray. PQQ and glucose are represented in yellow and green, respectively. The large pocket next to the glucose-binding site of PQQGDH comprises Arg148, Arg406, Arg408, Arg45 (red) and Lys28 (orange). The docking box was set as the target area for this pocket. The docking box is shown as a yellow rectangular solid. The size of the docking box was fixed as a 37 Å