Figure 6
Crystal structure of BpsDsbA with bound bromophenoxy propanamide (fragment 1). On the left, the protein organization in the crystal structure with PDB code 7luh is represented, with the ligand-binding pocket located at a crystal contact (the two protein monomers are coloured cyan and yellow). The ligand is shown in orange and the binding site is highlighted with a red circle. On the right, a close-up view of the ligand-binding pocket in PDB entry 7luh compared with the oxidized apo structure PDB entry 4k2d (Ireland et al., 2014) is depicted. In the absence of fragment 1, the hydrophobic pocket is occupied by the side chain of Tyr110. The residues lining the pocket on the symmetry-related copy of the protein are Val12, Ala13 and Lys15 (yellow). Proteins are shown as a combination of surface, cartoon and stick representations. |