Fig. 4.

(S)-SKI-72 has an alternative binding pose compared to sinefungin and its analogues. A. The AdoHcy pose found in the crystal structure is in orange, the docking pose is in yellow. B-E. Sinefungin and its analogues show similar poses in the binding site. In panel E, the S-isoform of TAM-4-61 is coloured as greencyan, while its R-isoform is in palegreen. F. Two possible poses of (S)-SKI-72, one (darkpink) is similar to those shown in A-E, and the other (palepink) forms an ionic interaction with Glu458.