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- Title
Dynamics and hydration explain failed functional transformation in dehalogenase design.
- Authors
Sykora, Jan; Brezovsky, Jan; Koudelakova, Tana; Lahoda, Maryna; Fortova, Andrea; Chernovets, Tatsiana; Chaloupkova, Radka; Stepankova, Veronika; Prokop, Zbynek; Smatanova, Ivana Kuta; Hof, Martin; Damborsky, Jiri
- Abstract
We emphasize the importance of dynamics and hydration for enzymatic catalysis and protein design by transplanting the active site from a haloalkane dehalogenase with high enantioselectivity to nonselective dehalogenase. Protein crystallography confirms that the active site geometry of the redesigned dehalogenase matches that of the target, but its enantioselectivity remains low. Time-dependent fluorescence shifts and computer simulations revealed that dynamics and hydration at the tunnel mouth differ substantially between the redesigned and target dehalogenase.
- Subjects
HYDRATION; DEHALOGENASES; HALOALKANES; CATALYSIS; FLUORESCENCE; COMPUTER simulation
- Publication
Nature Chemical Biology, 2014, Vol 10, Issue 6, p428
- ISSN
1552-4450
- Publication type
Article
- DOI
10.1038/nchembio.1502