Table 4 Distances (Å) between certain key residues and the size of the active pocket for wild-type and mutated CatAs*.

From: Engineering catechol 1, 2-dioxygenase by design for improving the performance of the cis, cis-muconic acid synthetic pathway in Escherichia coli

Characteristics

L73F

P76A

L73F/P76F

WT

Leu73 or Phe73 to Leu109

6.7 ± 0.4

7.9 ± 0.4

7.6 ± 0.4

7.6 ± 0.4

Leu73 or Phe73 to Cys202

3.7 ± 0.4

4.3 ± 0.4

3.9 ± 0.4

3.9 ± 0.3

Pro76 or Ala76 to Ile105

4.1 ± 0.3

4.2 ± 0.3

4.7 ± 0.4

3.7 ± 0.3

Pro76 or Ala76 to Gly105

4.5 ± 0.3

6.7 ± 0.2

6.7 ± 0.2

5.1 ± 0.3

Size of active pocket (Å3)

123 ± 10

178 ± 13

152 ± 11

132 ± 12

  1. *50 snapshots of last 250 ps trajectories (5 ps per snapshot) during molecular dynamic simulation were used to calculate the distance and the volume. The results represent the mean ± standard deviation.