Fig. 2: RMSD values of PpAAT1–ligand complexes and contribution of amino acid residues to ΔGbind in the PpAAT1–alcohol–acetyl–CoA complexes.

a RMSD values of the PpAAT1–4-hydroxydecanoyl–CoA complexes. b RMSD values of the four PpAAT1–alcohol–acetyl–CoA complexes. c Contribution of amino acid residues to ΔGbind in the PpAAT1–4-hydroxydecanoyl–CoA complexes. d Contribution of amino acid residues to ΔGbind in the PpAAT1–alcohol–acetyl–CoA complexes