Fig. 8.

The binding of ${\text{MoeA}}_{\mathit{DON}}$ to SaMGT. (A) Residues that were in contact with ${\text{MoeA}}_{\mathit{DON}}$ averaged over three 500 ns simulations. A score of 1 indicates residues that interacted with ${\text{MoeA}}_{\mathit{DON}}$ throughout the entire simulation, and 0 indicates no contact. Residues that scored 0.8 and above are labelled. (B) The number of residues that bind to ${\text{MoeA}}_{\mathit{DON}}$ during the three simulations. Highlighted in red is the portion of one simulation whereby the flap interacted with ${\text{MoeA}}_{\mathit{DON}}$. A distance cut-off of 4 Å was used during these contact analyses. (C) Snapshots of ${\text{MoeA}}_{\mathit{DON}}$-bound SaMGT at the beginning and at the end of one of the simulations. MoeA is shown in van der Waals representation.