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. Author manuscript; available in PMC: 2023 Oct 19.
Published in final edited form as: J Am Chem Soc. 2022 Oct 6;144(41):18861–18875. doi: 10.1021/jacs.2c05030

Figure 6. Comparison of HDAC6 docking models with HDAC10 crystal structures.

Figure 6.

Selectivity-driving interactions are revealed by comparison of HDAC6 docking models with HDAC10–DKFZ-711 and HDAC10–SAHA crystal structures. HDAC6 docking models of DKFZ-711 (A) or SAHA (B) based on PDB 5EDU. Crystal structures of HDAC10 with DKFZ-711 (C) or SAHA (D) with hydrogen atoms added by modeling to emphasize surface water networks. Surface colors: ochre: hydrophobic, turquois: hydrophilic. Methylene hydrogens are omitted for clarity. Hydrogen bonds depicted as dashed blue lines.