Figure 2 | Scientific Reports

Figure 2

From: Computer-aided engineering of a branching sucrase for the glucodiversification of a tetrasaccharide precursor of S. flexneri antigenic oligosaccharides

Figure 2

(A) Computer-aided approach for BRS-B Δ2 active site re-design. After successive steps, the final designed library contained 49 sequences featuring between 9 and 15 mutations in the active site, each. (B) View of the active site of BRS-B Δ2 model. The 27 redesignable amino acids are shown in red, green, cyan and magenta according to their belonging to the first, second, third and fourth contact shell, respectively, surrounding the glucosyl residue (yellow sticks) in the -1 position as extracted from the structure of inactive GTF-180 in complex with sucrose (PDB ID: 3HZ3). The docked pentasaccharides are not shown for clarity purpose. Molecular graphics were prepared using PYMOL 1.7 (PyMOL Molecular Graphics System, Schrödinger, LLC).

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