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Indole docked along the tunnel (PDB ID: 4HN4). (a) Results of docking showing the path of indole movement in the tunnel. (b) αPhe212, βLeu21, βPhe280 side chain rotations giving way for indole. The indole subsite in the β-catalytic site is modeled by the position of benzimidazole bound to the α-aminoacrylate intermediate (PDB ID: 4HPX).
