Figure 2 | Scientific Reports

Figure 2

From: Insights into the key interactions between human protein phosphatase 5 and cantharidin using molecular dynamics and site-directed mutagenesis bioassays

Figure 2

Residue fluctuations obtained by average residual fluctuations over 50 ns MD simulations are displayed in red.

Experimental results calculated from B factors of crystal structures of PP5c complexes (PDB code: 3H63; 3H61; 3H64) are shown in black (left). Superimpositions of the averaged conformation of the cantharidin, norcantharidin and endothall in the PP5c along MD simulations on those obtained from the crystal structures. The conformations obtained from MD simulations are in deep cyan; the conformations obtained from the crystal structure are in gray (right).

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