Fig. 4: Demonstrated biosynthesis of 4-hydroxybutyric acid and 2-pentanone with BioPKS pipeline. | Nature Communications

Fig. 4: Demonstrated biosynthesis of 4-hydroxybutyric acid and 2-pentanone with BioPKS pipeline.

From: Merging the computational design of chimeric type I polyketide synthases with enzymatic pathways for chemical biosynthesis

Fig. 4

a When 4-hydroxybutyric acid is input as a target structure into BioPKS pipeline, the top PKS design from RetroTide synthesizes 4-hydroxybutyric acid completely in just two modules. Hydroxymalonyl-CoA is recommended as a starter unit while malonyl-CoA is recommended as an extender unit. Since any additional post-PKS modifications are not required, BioPKS pipeline terminates. b Conversely, when 2-pentanone is input as a target structure, the top PKS design from RetroTide reaches only as far as 5-ketohexanoic acid. DORAnet subsequently takes over and suggests a thermodynamically favorable decarboxylation reaction to synthesize 2-pentanone. This decarboxylation step is also predicted to be highly feasible with an enzymatic reaction feasibility score of 0.896. Source data are provided as a Source Data file.

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