Figure 3 | Scientific Reports

Figure 3

From: Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands

Figure 3

Time evolution of the distortions in the main axes of the two protomers relative to the 2CG9.pdb symmetric structure.

After alignment of the single protomers belonging to snapshots from the simulations in the presence of the allosteric activators on yHsp90 structure (2CG9.pdb) significant differences between the two protomers are observed except for the cases of ATP-only and of the complex with compound 16. The black trace refers to protomer A; the red trace refers to protomer B.

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