Extended Data Fig. 10: Structural overlays.
From: Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead
a, Structural overlay of BurG (holo) bound to 11 (PDB code: 7PCL, coloured in pink) with apo BurG (PDB code: 7PCE, coloured in grey). The root mean square deviation (rmsd) between both structures is 1.2 Å over 283 Cα-atoms (353 residues in total). BurG (apo) displays increased flexibility (high temperature factors) and individual secondary structure elements are shifted compared to BurG (holo). As a result, the catalytic centre in apo BurG is accessible to cofactors and ligands (open conformation). In contrast, the active site of BurG (holo) is sequestered in a closed chamber. b, Structural overlay of BurG (holo) (PDB code: 7PCL, coloured in pink) with the ketol-acid reductoisomerase (KARI, holo) from Staphylococcus aureus (PDB code: 6AQJ, coloured in grey). The KARI from S. aureus is bound to 10 while BurG is bound to 11 (the reduced form of 10). Both structures adopt the closed conformation and display a rmsd of 1.4 Å over 288 Cα-atoms (sequence identity 35 %).
