Fig. 2.

Comparison of design model and crystal structure. (A) Native BAL (PDB ID code 2AG0) with TPP and a docked model of benzoin in the active site. The residues that were mutated in the designed formose enzyme (FLS) are highlighted in brown. (B) Model of FLS active site with the four active site mutations (brown) around the DHA bound intermediate (purple). (C) Overlay of the Des1 crystal structure (blue) and the FLS model (green, with mutated residues brown) with the docked DHA product (purple). The four active site mutations (BAL vs. Des1) are shown in sticks, conserved amino acids in lines. Figure made with PyMol (38).