Fig. 3: Ensemble refinement of Kemp eliminases. | Nature Communications

Fig. 3: Ensemble refinement of Kemp eliminases.

From: Distal mutations enhance catalysis in designed enzymes by facilitating substrate binding and product release

Fig. 3

Ensemble refinements of 6NBT-bound crystal structures for a HG3, b 1A53, and c KE70 variants reveal that distal and active-site mutations increase the proportion of productive substates in the conformational ensemble. Percentages next to each residue indicate the fraction of substates that form hydrogen bonds or π-stacking interactions with 6NBT.

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