Here, we report in: A) the most stable binding pose with the lowest RMSD value of 1.77 Å; this pose was generated using HYBRID, and B) the docking pose that reproduces the binding mode of the substrate analog; it was generated using POSIT. Contrary to our expectations, we found that this binding mode is not stable (RMSD of 6.6 Å), highlighting that the binding mode of the substrate analog does not reflect the binding mode of paraoxon.