Fig. 7: Structure of quinolone 3f covalently bound to TDP1 (PDB code: 9B3B). | Communications Chemistry

Fig. 7: Structure of quinolone 3f covalently bound to TDP1 (PDB code: 9B3B).

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

Fig. 7: Structure of quinolone 3f covalently bound to TDP1 (PDB code: 9B3B).

Structure of TDP1 in complex with compound 3f (carbon atoms in green). The fit of 3f to the 2Fo-Fc electron density map (1.62 Å resolution, blue mesh, contoured at 1.0 σ level) is shown. The position of the terminal phenyl ring of 3f is modeled. The residue F259 rotamers are highlighted in different colors in the superimposed structures of the TDP1-3f model complex (PDB code: 9B3B, F259 in gray) and the coordinates of TDP1 are shown with bound DNA substrate (PDB code: 1NOP, F259 in magenta), without bound substrate (PDB: 1QZQ; F259 in orange) and with an imidazopyridine inhibitor (PDB code: 8CW2; F259 in cyan).

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