Figure 4.

Comparison of the experimentally determined RmlA model presented here with that based on the homology modeling previously described.13 A superposition of the ribbon representations for the two models in stereo is presented in (A) with the experimentally determined model highlighted in violet. Overall the folds are similar as would be expected. One of the major differences, however, is the positioning of the loop delineated by Trp 220 to Phe 226. As can be seen in (B), in the theoretical model the Asp 222 side‐chain is positioned away from the active site.