SYKORA, J., Jan BREZOVSKÝ, Táňa KOUDELÁKOVÁ, M. LAHODA, Andrea FOŘTOVÁ, T. CHERNOVETS, Radka CHALOUPKOVÁ, Veronika ŠTĚPÁNKOVÁ, Zbyněk PROKOP, I. KUTA SMATANOVA, M. HOF and Jiří DAMBORSKÝ. Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design. Nature Chemical Biology. 2014, vol. 10, No 6, p. 428-430. ISSN 1552-4450. |
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@article{1213468, author = {Sykora, J. and Brezovský, Jan and Koudeláková, Táňa and Lahoda, M. and Fořtová, Andrea and Chernovets, T. and Chaloupková, Radka and Štěpánková, Veronika and Prokop, Zbyněk and Kuta Smatanova, I. and Hof, M. and Damborský, Jiří}, article_number = {6}, keywords = {haloalkane dehalogenase}, language = {eng}, issn = {1552-4450}, journal = {Nature Chemical Biology}, title = {Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design.}, volume = {10}, year = {2014} }
TY - JOUR ID - 1213468 AU - Sykora, J. - Brezovský, Jan - Koudeláková, Táňa - Lahoda, M. - Fořtová, Andrea - Chernovets, T. - Chaloupková, Radka - Štěpánková, Veronika - Prokop, Zbyněk - Kuta Smatanova, I. - Hof, M. - Damborský, Jiří PY - 2014 TI - Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design. JF - Nature Chemical Biology VL - 10 IS - 6 SP - 428-430 EP - 428-430 SN - 15524450 KW - haloalkane dehalogenase N2 - 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. ER -
SYKORA, J., Jan BREZOVSKÝ, Táňa KOUDELÁKOVÁ, M. LAHODA, Andrea FOŘTOVÁ, T. CHERNOVETS, Radka CHALOUPKOVÁ, Veronika ŠTĚPÁNKOVÁ, Zbyněk PROKOP, I. KUTA SMATANOVA, M. HOF and Jiří DAMBORSKÝ. Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design. \textit{Nature Chemical Biology}. 2014, vol.~10, No~6, p.~428-430. ISSN~1552-4450.
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