Fig 3. EtfD’s ligand binding site analysis.

(a) The overall protein structure is shown in blue as a cartoon, with the surface displayed. Binding site residues are highlighted in red and shown as balls. (b) Close-up view of the binding site. (c) Ligand binding site residues with their corresponding residue specific probabilities, as predicted by the COACH metaserver. (d) Predicted interactions between the ligand SF4 and binding site residues. Hydrogen bonds are shown in olive green, iron-sulfur coordinate bonds in purple, carbon in black, nitrogen in blue, oxygen in red, sulfur in yellow, and iron in pink. Hydrophobic interactions are not shown to avoid obscuring details, but the names of the residues involved in hydrophobic interactions are labeled in black.