Fig. 4: The AARstearoyl-CoA–ADO structure.
a Surface representation of AARstearoyl-CoA–ADO structure. Stearoyl-CoA is located in the L-shaped channel and shown as sticks. The residue C294S is not able to form thioester bond with the C1 atom (indicated by yellow arrow) of the stearic chain and is ~6 Å away from it. b Surface representation of SeAAR-PmADO model. In PmADO structure (PDB code 4PGI), two ligands (shown as sticks and colored yellow for the carbon atoms) are together located in the T-shaped channel, which has a big opening at the molecular surface. The tail end of stearic chain in SeAAR (magenta stick) points toward the entrance of the entering tunnel in PmADO. The black dashed line indicates the interface between AAR and ADO. The contiguous channel throughout AAR and ADO is highlighted by yellow line. c The superposition of PmADO structure (PDB code 4PGI) onto the ADO part of SeAAR-SeADO structure solved in this study and the free SeADO structure solved previously (PDB code 4RC5) to show the T-shaped channel. The PmADO structure (PDB code 4PGI) is shown in surface mode, and the ligand bound in the T-shaped channel is shown as yellow sticks. The SeAAR-SeADO structure (colored magenta) and the free SeADO structure (PDB code 4RC5; colored cyan) are shown in ribbon, with the bound ligand shown as sticks.
