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Figure 5
Structure of the FAF–DSM#3 complex. (a) The FAF dimer with crystallographically equivalent DSM binding sites inside the β-barrel. The crystallographic dyad is represented by a vertical black line. (b) 2FoFc electron-density map (1.5σ) around the DSM molecule in the FAF–DSM#3 complex (a difference omit map is presented in Supplementary Fig. S1). (c) Interactions stabilizing the DSM molecule inside the β-barrel: hydrogen bonds (red dashed lines) and C—H⋯π interactions (black dashed lines). (d) The shape of the binding pocket and the pose of the DSM ligand in the β-­barrel.

Volume 9| Part 3| May 2022| Pages 386-398
ISSN: 2052-2525