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Figure 2
(a) Crystal structure of the FAF–DSM complex in cartoon representation with DSM molecules I, II, III and IV (space-filling representation) located at different binding sites (β-barrel interior, entrance and dimer interface). In subunit A, DSM I (pink) was bound in the β-barrel interior, DSM II (cyan) was found at the β-barrel entrance and DSM III (yellow) was located at the dimer interface. In subunit B, DSM IV (orange) was found in the β-barrel interior. (b)–(e) 2FoFc electron-density maps around ligand molecules I, II, III and IV contoured at the 1.0σ level (difference omit maps are presented in Supplementary Fig. S1). (f)–(i) Interactions stabilizing the DSM molecules in their binding sites: hydrogen bonds (red dashed lines), hydrophobic contacts or C—H⋯π interactions (black dotted lines) and ππ stacking interactions (blue dotted lines). In (h), superscripts (A) or (B) mark residues belonging to chain A or B, respectively.

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