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Structural and Dynamic Requirements for Optimal Activity of the Essential Bacterial Enzyme Dihydrodipicolinate Synthase

Figure 7

Network of essential active site interactions over the course of the simulations.

(A) Electrostatic interactions and residues considered: Wild-type E. coli tetramer (dark blue), E. coli L197 mutant dimer (light blue), MRSA wild-type dimer (green). Only Wild-type E. Coli interactions (dashed lines) are shown for clarity. (B) Distance between T44-Oγ and Y133-Oç. (C) Distance between T44-Oγ and Y107-Oç. (D) Distance between K161-Nζ and Y133-Oç. Equivalent MRSA residues are T46, Y135, Y109 and K163.

Figure 7

doi: https://doi.org/10.1371/journal.pcbi.1002537.g007