Figure 3.

Apo-pyoverdine does bind to NGAL. Docking of apo-pyoverdine (without iron) into the NGAL trimer crystal structure (PDB 1L6M) using AutoDock Vina. NGAL protein in red, blue, and green ribbon diagrams with nine pyoverdine docking modes shown in space-filling representation. Here, each of the binding regions is displayed on only one representative pyoverdine molecule (turquoise, white, or magenta). Tryptophan residues W31 and W79 are highlighted in yellow. The model was rotated 180° for display in the view at right. The binding affinity for each docking mode is listed Table 1.