Figure 2
The BIA binding pocket in apo and holo PR10-10. (a) Solvent-accessible surface depiction of wild-type PR10-10 and PR10-10-Cys59Ser. Coloring corresponds to solvent accessibility, with white being the least accessible and blue being the most accessible. Individual PR10-10 protomers are shown with the dimer interface marked. The BIA binding pocket is also marked by red arrows. (b) Close-up views of the binding pockets of the apo and holo structures of wild-type PR10-10 and the two cysteine mutants. The simulated-annealing (|Fo| − |Fc|) omit map is contoured at 3σ and is represented as a gray mesh. The starting and ending temperatures for simulated annealing were 5000 and 300 K, respectively, using Phenix (Liebschner et al., 2019). Protein C atoms and bonds are shown in green, ligand C atoms and bonds in magenta, O atoms in red and N atoms in blue. An additional polder map for PR10-10-Cys59Ser–papaverine is shown in Supplementary Fig. S2. |