Fig 2. Superposition of native and predicted active sites.

(A) 1c2t; (B) 1jcl. The transition states are shown in ball and stick model, and the active site residues in stick model. Atoms O, N, and C in crystal structures are colored in red, teal, and gray, respectively. The matched structures based on complex active site model are shown in pink, and in green for matched structures based on minimal active site model.