Figure 1.

Complex structure of Bet v 1.0101 with two SDS molecules. (A) Overview of Bet v 1.0101 in complex with the outer (front, left) and inner (right) SDS molecules shown in yellow stick representation. Three putative entrances (ε1–ε3) to the inner hydrophobic cavity are indicated with arrows. (B) Zoom-in view of the outer SDS binding site. The ligand molecule in yellow sticks is superimposed on the experimental 2Fo-Fc electron density contoured at 0.8 σ. Protein residues that are involved in important interactions with SDS are labeled. (C) Zoom-in view of the inner SDS binding site. The ligand molecule in yellow sticks is superimposed on the experimental 2Fo-Fc electron density contoured at 0.8 σ. Protein residues that are involved in important interactions with SDS are labeled. To see this figure in color, go online.