Fig. 6: Structures of quinolones 2f (PDB code: 8UZV), 3e (PDB code: 8V0B), 3b (PDB code: 8V0C) and 3c (PDB code: 8UZZ) bound at the TDP1 catalytic site. | Communications Chemistry

Fig. 6: Structures of quinolones 2f (PDB code: 8UZV), 3e (PDB code: 8V0B), 3b (PDB code: 8V0C) and 3c (PDB code: 8UZZ) bound at the TDP1 catalytic site.

From: Targeted sulfur(VI) fluoride exchange-mediated covalent modification of a tyrosine residue in the catalytic pocket of tyrosyl-DNA phosphodiesterase 1

Fig. 6

a Crystal structure of quinolone 2f (carbon atoms in green) bound to TDP1’s catalytic pocket (carbon atoms in gray). The fit of 2f to the 2Fo-Fc electron density map (1.85 Å resolution, blue mesh, contoured at 1.0 σ level) is shown. b Crystal structure of quinolone 3b covalently bound to residue Y204 adjacent to the TDP1 catalytic site. An unreacted molecule 3b was also observed. The fit of 3b to the 2Fo-Fc electron density map (1.62 Å resolution, blue mesh, contoured at 1.0 σ level) is shown. c Crystal structure of quinolone 3e bound to TDP1’s catalytic pocket. The fit of 3e to the 2Fo-Fc electron density map (1.65 Å resolution, blue mesh, contoured at 1.0 σ level) is shown. d Crystal structure of quinolone 3c covalently bound to the residue Y204 with a sulfate bond at the TDP1 catalytic site. The fit of 3c to the 2Fo-Fc electron density map (1.93 Å resolution, blue mesh, contoured at 1.0 σ level) is shown.

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