Figure 4
From: Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement
Co-crystalised structures of G93A SOD1 with ebselen, MR6-8-2 and MR6-26-2. Electron density (2Fo–Fc) maps of (A) ebselen, (B) MR6-8-2, and (C) MR6-26-2 are contoured at 1σ in green mesh. Ligands and waters are illustrated as yellow sticks and red sphere, respectively. Individual SOD1 monomers are coloured in dark and light blue surface. Overlaid ligand poses in co-crystalised G93A (yellow sticks) and A4V SOD1 (pink sticks) structures of (D) ebselen, (E) MR6-8-2, and (F) MR6-26-2. Structures of A4V SOD1 with corresponding compounds are obtained from PDBs: 6Z4G, 6Z4L and 6Z4M respectively. Binding modes of (G MR6-8-2 and (H) MR6-26-2 are shown among amino acid residues (dark and light blue sticks) and water molecules in SOD1 dimer interface. Hydrogen bonds and distances between molecules are shown as green and black dashes, respectively. Numbers represent distances in Ångstroms.
