Figure 5.

Equilibrated uMUC1 (magenta) and sLe^x (orange) structures bound to P-selectin (gray, top row) and L-selectin (blue, bottom row). With respect to the uMUC1 sequence, PDTRPAPGSTAPPAHGVTSA, all interactions correspond with the “reverse” sequence. uMUC1 residues S9 (a, b), T10 (c, d), and T18 (e, f) are glycosylated as indicated by the uMUC1 sequence and the orange arrow. The atoms of select P-selectin amino acids (R85, H108, and K112) and L-selectin amino acids (R97 and K111) are depicted to show varying degrees of contacting residues