Fig. 3
The mechanism analysis of mutations. A Docking models of the OATAL57C/M419I variant using α-ketobutyric acid as the ligand. B and C Molecular dynamic simulations of the OATAL57C/M419I variant using α-ketobutyric acid as the ligand. PMP and α-ketobutyric acid are shown in thick sticks. The hydrogen bonds and salt bridge are indicated with green dotted lines and orange dotted lines, and alkyl interactions are labeled with pink dotted lines. The Cα − NPMP and Oβ − NK287 distances are designated by dark green and purple lines, respectively