Structural Basis for the Inhibition of Histone Deacetylase 8 (HDAC8), a Key Epigenetic Player in the Blood Fluke Schistosoma mansoni
Figure 5
Binding modes of linker-less inhibitors J1038 and J1075 to smHDAC8.
Structural mechanisms of smHDAC8 inhibitions by (A) J1038 and (B) J1075. The views are the same as those used in Figure 4. Both inhibitors make use of both common and specific interactions with smHDAC8. J1038 induces F151 flipping-in and interacts with H292, whereas J1075 constrains F151 in its flipped-out conformation but does not interact with H292. (C,D) Schematic views of the interactions formed by J1038 and J1075 with smHDAC8 active site zinc ion and residues.