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Table 3 Ranked pathways for biosynthesis of Penicillin N in E. coli

From: A retrosynthetic biology approach to metabolic pathway design for therapeutic production

EC number product cost (toxicity) ρ 1 ρ 2 ρ 3 ρ 4 ρ 5 ρ 6
5.1.1.17 C06564 1.17 (2.63) X X X X X X
1.21.3.1 C05557 0.81 (2.94) X X X X X X
6.3.2.26 C05556 2.05 (0.87) X X X X X X
1.2.1.31 C00956 1.09 (0.13) X X X X X X
2.6.1.36 C04076 0.74 (0.72) X - - - - -
1.4.3.20 C04076 1.13 (0.72) - - - X - -
2.6.1.71 C04076 1.34 (0.72) - - X - - -
1.4.1.18 C04076 1.54 (0.72) - X - - X X
1.5.3.7 C00450 4.94 (0.91) - - - - - X
1.5.99.3 C00450 5.30 (0.91) - - - - X -
1.4.1.18* C00408 1.43 (0.93) - - - - X X
   v c (ρ) 6.56 6.53 6.55 5.55 5.56 5.55
   W(ρ) 9.33 9.67 9.93 9.74 12.52 16.52
  1. Each row corresponds to the insertion of one enzyme in the pathway in order to produce the given intermediate product in the second column. The estimated cost and product toxicity are given in the third column. The last two rows provide the estimate of maximum flux v c (ρ) for the pathway, and the total cost W(ρ) according to Equation 3. C06564: Penicillin N; C05557: Isopenicillin; C05556: δ-(L-α-Aminoadipyl)-L-cysteinyl-D-valine; C00956: L-2-Aminoadipate; C04076: L-2-Aminoadipate-6-semialdehyde; C00450: (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate; C00408: L-Pipecolate. Starred EC numbers correspond to putative enzymes.