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Figure 4 | BMC Biophysics

Figure 4

From: Molecular dynamics simulations indicate an induced-fit mechanism for LSD1/CoREST-H3-histone molecular recognition

Figure 4

Statistical relevance of induced-fit vs. conformational selection mechanisms as a function of increasing distance from the H3-histone site examined by Kolmogorov-Smirnov tests. (a) The pairwise root-mean-square-deviation (RMSD) values between unbound and H3-bound conformation as a function of cumulative incremental distances of 1-Å from the binding site center of mass (gray lines); the average RMSD values (black line) and their standard deviation (vertical bars) are also shown. (b) p-values obtained using Kolmogorov-Smirnov tests (red line), comparing the statistical relevance of induced-fit vs. conformational selection as a function of the radial distance from the H3-histone site center of geometry; the background color coding corresponds to panel (c). (c) Structural regions of the LSD1/CoREST nanoscale clamp highlighted based on the p-value ranges. Note that the inner region encompasses entirely the H3-binding site. See also the Methods section for analysis details.

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