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Polyketide Synthases: DEBS Thioesterase

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Figure 1: Structure comparisons

Structure comparisons between ZhuH (green) and E. coli FabH (red). Although the five-layer core region is almost identical, loop regions are different. Note that ZhuH has a larger L9 than FabH, leading to a downward shift of L3 and L3ê which hydrogen-bonds to L9-L9ê. As a result, the acyl group-binding pocket of ZhuH is slightly larger than that of FabH.

Figure 2: The overall structure of ZhuH dimer.

The ribbons are colored in purple for monomer A and in green for monomer B. The five structural elements responsible for the dimer interface are labeled in red. The monomer-monomer interactions between L9-L9ê, L9-L3ê and L3-L3ê are important for substrate recognition. Note the large cavitiy between monomers.

Figure 3: ZhuH Monomers

The ZhuH monomers reveals a five-layer core region and an extensive loop region that is important for acyl-CoA binding. The figures were prepared by ChemDraw, DINO, SwissPDB Viewer and POV-Ray.

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