Figure 5 | Scientific Reports

Figure 5

From: The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target

Figure 5

Flexibility of the MtInhA associated with NADH. (A) Root mean of the root mean square fluctuation (RMSF) for the monomeric and tetrameric systems, according to the first eigenvector. The regions A-loop, B-loo, and SBL are highlighted with boxes and coloured in light blue, orange, and purple, respectively. In addition, black, red and green lines represent the three simulations’ repetitions. The mobility and conformation change of the most representative structure extracted from the MD trajectories for monomer (B) and tetramer (C). The thickness is proportional to B-factor values. Image generated with XMGrace38 and PyMOL36.

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