Fig. 5: Rv2067c active site dynamics. | Nature Communications

Fig. 5: Rv2067c active site dynamics.

From: The Mycobacterium tuberculosis methyltransferase Rv2067c manipulates host epigenetic programming to promote its own survival

Fig. 5

Volumetric density map of Rv2067c substrate-binding trough calculated using POVME 3.0 for a crystal structure (monomer A) and molecular dynamics (MD) trajectory. a In the crystal structure, the active site is occluded (broken circle). b During 100 ns MD simulations, the active site was widened to accommodate substrate lysine (broken circle). The volumetric density map is shown as an isosurface (maroon) at 0.1 contour level. c The widened active site (marked with a double-headed yellow arrow) as compared to the occluded active site seen in the crystal structure (Fig. 4b) for a simulation snapshot is shown. SAM S-adenosyl-L-methionine. Scale bars 10 Å.

Back to article page