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Figure 9 | BMC Structural Biology

Figure 9

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

Figure 9

The figure depicts the residues involved in determination of stero-chemistry of reduction as well as the epimerization at alpha position. (a) The residues of LDD motif are depicted in red sticks, catalytic Tyr 1813 and Pro1815 are shown in magenta color while the Phe1805 and Phe1801 are shown in orange representation. The hydrogen atom of substrate and O- of Tyr1813 which are hypothesized to be involved in epimerization have been depicted as spheres. (b) The residues Val1852, Leu1810 and Leu1756 which form hydrophobic pocket around substrate are depicted in blue sticks.

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