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. 2022 Jun 10;23(14):e202200180. doi: 10.1002/cbic.202200180

Figure 8.

Figure 8

Predicted binding modes of tubastatin A (14) in different HDAC isoforms: a) Tubastatin A (yellow sticks) in drHDAC10 (PDB ID 6UHU), b) tubastatin A (teal sticks) in HDAC6 (PDB ID 5EDU), c) tubastatin A (orange sticks) in HDAC8 (PDB ID 2 V5X), d) tubastatin A (magenta sticks) in HDAC1 (PDB ID 5ICN). The surface of the protein is colored according to lipophilicity; green for hydrophobic and magenta for hydrophilic. Side chains of binding site residues are shown as white sticks and the catalytic zinc ion as orange spheres. Hydrogen bonds and salt bridge interactions are depicted as blue‐dashed lines and coordination of the zinc ion by the ligand as yellow‐dashed lines. Distances are shown as black lines.