FIG 3.

Structure of BCJ2315. (a) Structure of BCJ2315 created using DS 4.1. The α-helices, β-sheets, and loops are shown in red, yellow, and green, respectively. The atomic structures of the catalytic residues, E48, K130, and C164, are represented by spheres: the carbon, hydrogen, sulfur, oxygen, and nitrogen atoms are shown in cyan, white, yellow, red, and blue, respectively. (b) Close-up view of the catalytic triad, with carbon atoms in purple, as well as other critical residues, with carbon atoms in cyan. (c) Superimposition of the nitrilase catalytic triads. Orange, 1F89 (PDB); yellow, 1J31 (PDB); green, 2W1V (PDB); cyan, 3IVZ (PDB); blue, 3WUY (PDB); magenta, BCJ2315 (this study). (d) Solvent-accessible surface of BCJ2315. Positive and negative residues are shown in blue and red, respectively. The nucleophile C164 is shown in purple.