Fig. 4. The catalytic site flexibility of ValDLT and its relatedness to promiscuous catalysis.

a Four representative binding modes of ligands in the acyl-binding pocket of ValDLT. The catalytic site residues, Phe lid and ligands are shown as sticks. b Superposition of overall ValDLT structures in a. Regions with conformational differences are colored with the same scheme in a. c Superposition of the catalytic sites of all ValDLT structures in a. The residues are colored as in a. d Mutation of the oxyanion hole region resulted in substrate-dependent effects on esterase activity. Data are the mean ± SD of three independent measurements. Source data are provided with this paper.