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Dynamic Allostery in the Methionine Repressor Revealed by Force Distribution Analysis

Figure 2

Force distribution at the protein - DNA interface.

Force in (A) MetJ-dna and (B) MetJ is distributed to specifically targeted key residues on the protein-DNA interface. Only Arg40 and the loop formed by residues 50–53 show significant response to SAM binding. Large parts of helix A and the are not part of the allosteric regulatory mechanism. Colors for the protein surfaces range from blue for to red for high ; the DNA is displayed as sticks. For better overview, DNA was plotted into MetJ as well. (C) Correlations of changes in residue wise forces for MetJ and MetJ-dna. Both systems show a highly similar force distribution pattern, with a correlation of R = 0.74. The line displays the fit to a linear model.

doi: https://doi.org/10.1371/journal.pcbi.1000574.g002