Figure 3.
Main interactions of SAHA (cyan stick atoms, A) and 11b (yellow stick atoms, B) with the characteristic residues of the ZBG in HDAC1, determined by molecular dynamics simulations. The average distances between O1 and Zn and O2 and Zn are, respectively, 2.40 and 2.32 Å for SAHA and 2.36 and 2.40 Å for 11b.