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Figure 10 | BMC Structural Biology

Figure 10

From: Modeling holo-ACP:DH and holo-ACP:KR complexes of modular polyketide synthases: a docking and molecular dynamics study

Figure 10

RMSD (Å) vs. Time (ps) plots for the substrate bound holo-ACP KR complex over 20 ns MD trajectory. Distance (Å) between between keto group at beta position of the substrate and hydroxyl of Tyr 1813 as well as the side chain oxygen of Ser 1800 over 20 ns MD trajectory. The lower right panel shows the variation of the distance (Å) between NADPH and beta carbon of the substrate over the MD trajectory.

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