Fig. 3. Structural ensembles and representative model for 5-phenyl-3-oxo-pentyl ACP 7. (A) The ensemble of twenty structures rendered as a Cα trace. The 4′-PP derivative is represented in stick form and is buried in the core of the protein. (B) Ribbon image of the 5-phenyl-3-oxo-pentyl ACP 7 showing insertion of the phenyl moiety into the hydrophobic core of the protein. (C) Pairwise superimposed structures of holo (orange), octanoyl (cyan) and 5-phenyl-3-oxo-pentyl 7 (black) act ACPs. The residues, Leu45, Val68 and Leu74 are shown as sticks.
