Table 1.
Name | Reaction | →log KTS | Ref. | ||
---|---|---|---|---|---|
P7D2 | Ester hydrolysis | 2.26 | 0.43 | 6.03 | 39 |
G4-DFtet | Phenol oxidation | ≈3b | 1.42 | 6.08 | 18 |
RA61 | Retro-Aldol | 4.36 | -0.15 | 8.04 | 19 |
KE07 | Kemp Elimination | 4.19 | 1.11 | 7.04 | 20 |
→KE07*c | Kemp Elimination | 6.07 | 3.40 | 9.34 | 20 |
KE70 | Kemp Elimination | 5.08 | 2.10 | 8.04 | 46 |
→KE70*c | Kemp Elimination | 6.63 | 4.75 | 10.7 | 46 |
HG-3d | Kemp Elimination | 5.77 | 2.63 | 8.56 | 79 |
DA_20_00 | Diels-Aldere | 0.61 | -1.26 | 3.90 | 21 |
→DA_20_10f | Diels-Aldere | 1.93 | 0.73 | 5.90 | 21,83 |
→CE6 | Diels-Aldere | 1.96 | 1.94 | 7.11 | 83 |
A ’ →’ indicates the design has been developed from the closest design above.
Only an approximate rate enhancement was reported by the authors.
The 'R7 10/11G’ variant of KE07,[20] and 'R6 4/8B’ variant of KE70,[46] evolved by directed evolution and containing 8 and 14 mutations compared to their respective progenitor.
Refined in three generations using a combination of small-molecule placement,[11] MD and experimental techniques.
A bimolecular reaction, reported values therefore contain kcat/(KM1KM2).
Evolved from DA_20_00 by rational design and contains 6 mutations with respect to the progenitor
Evolved from DA_20_10 by exchanging an unstructured loop on the fringe of the active site to a helix-turn-helix motif that better encapsulates the substrates. The design was found by employing the community of FoldIt[16] players.