HtrA2 trimers after 50 ns MD, with reference to the starting structures: The pink PDZ (ribbons) make 3 lids to the PD (surface) of the trimer viewed perpendicular to C3 as in Fig 3.
<p><b>Left:</b> The resultant <b>wtHtrA2-ligand</b> complex. PDZ domains, in Units A, B, C, (cyan, canary and amber ribbons, respectively) have moved equatorially (budding-flower-like) relative to their starting (pink) positons, especially in units A & C thus opening the PD-PDZ interface. <b>Right:</b> The resultant <b>HtrA2</b><sup><b>S306A/V325D</b></sup> <b>double mutant-ligand</b> complex. Moving PDZ domains are colored as in the left panel. Only minor PDZ motions are seen; no opening of the PD-PDZ takes place.</p
