Figure 9: Tertiary structures of key β-lactamases coloured by RMSF.
From: De novo active sites for resurrected Precambrian enzymes
Shown here are the tertiary structures of the (left) wild-type and (right) variant forms of the TEM-1, ENCA, Bacillus licheniformis, GNCAMP, GNCA4 and PNCA β-lactamases, coloured by the calculated root mean square fluctuations (RMSF) of their Cα atoms, based on the values shown in Fig. 8. The colour scale at the bottom of this figure shows the calculated RMSF, in Å. This figure is presented to allow for a visual comparison of the relative mobilities of the different enzymes relative to each other, and how this maps on to their tertiary structures. Note here that the Bacillus licheniformis β-lactamase has unstructured C- and N-terminal segments. The structures shown here are the most representative structures obtained from our molecular dynamics simulations, obtained from clustering analysis as described in the Methods section.
