Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico
Kemp eliminases are artificial enzymes that catalyze the concerted deprotonation and ring-opening of benzisoxazoles. Here, the authors use room-temperature X-ray crystallography to investigate changes to the conformational ensemble of the Kemp eliminase HG3 along a directed evolutionary trajectory,...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-09-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-18619-x |