Positive allosteric modulators of lecithin: Cholesterol acyltransferase adjust the orientation of the membrane-binding domain and alter its spatial free energy profile
Fig 2
(A) The chemical structures of the compounds studied. (B) The docking poses of the compounds bound (hued purple) in the MBD cleft of LCAT and the co-crystallized compound 1b (PDB accession code 6MVD; hued blue) compared to its position docked back the structure (hued red). The allosteric site of LCAT is rendered as a cartoon secondary structure representation and shown as green. The compounds and the significant amino acids are rendered as sticks and are colored according to different elements. Carbon atoms are cyan, oxygen red, nitrogen blue, fluorine pink, and sulfur yellow.