Structural model for catch bonds between GPIbα and VWF. (a–e) Sequential snapshots of steered MD-simulated structures showing pathways of the sliding-rebinding mechanism. Mauve, A1; gray, GPIbαN; red spheres, D1269; blue spheres, R1306; green spheres, R1450; blue β-strands, β-switch of GPIbα; red β-strands, central β-sheet of A1; red sticks, E14; blue sticks, R1334. The equilibrated structure (a) was used as a starting point of steered MD simulations to generate the simulated structures in b–e. (f) Overlay of the structures in a (colors same as in a) and d (green, A1; cyan, GPIbα), showing the rotation of A1 and sliding of the GPIbα β-finger over A1. (g) Sliding-rebinding mechanism for GPIbα/VWF A1 catch bonds. Adapted with permission from (Yago et al 2008).