Fig. 5.

Normal mode analysis of VEEV macor domain. (A) Differences between the NMR solution structures of VEEV macro domain in the apo state (purple) and the ADPr-bound state (grey) are indicated by red arrows (minimum length of the displayed vectors is 2 Å). (B) Normal mode analysis from the apo (purple) to the bound state (grey) shows a transition pathway in the binding cavity. Transition states are shown in transparent white to dark grey colors as they progress to the bound state. Red arrows indicate significant reorientations of amino acids participating in binding of ADPr.