Figure 3.

Schematic view of one possible complex between 1 and DC-SIGN describing the employed Cartesian system to describe the coordinating oxygen atoms. The geometric center of the three Ca²⁺ ions of DC-SIGN is on the xy plane, the key Ca²⁺ (green sphere) is set at the origin, and the other two ions (yellow spheres) are placed in the first quadrant. The coordinating oxygen closer to the viewer is first specified (O3 in this case), and the other one (O4) is named later. Therefore, this binding pose is “ManI_O3-O4”.