"Fo\u0159tov\u00E1, Andrea" . "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." . "1552-4450" . "Sykora, J." . . "haloalkane dehalogenase"@en . . . "Prokop, Zbyn\u011Bk" . . "6" . "RIV/00216224:14310/14:00074209!RIV15-MSM-14310___" . . . "Koudel\u00E1kov\u00E1, T\u00E1\u0148a" . . . . . "12724" . "I, P(ED1.100/02/0123), P(EE2.3.30.0037), P(GAP503/12/0572), P(GBP208/12/G016), P(LO1214)" . "Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design."@en . . . "Hof, M." . . "Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design."@en . "Nature Chemical Biology" . "Chaloupkov\u00E1, Radka" . "Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design." . "Kuta Smatanova, I." . "Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design." . "14310" . . . "12"^^ . "3"^^ . . "Damborsk\u00FD, Ji\u0159\u00ED" . "7"^^ . "000336238200008" . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . "[DF36122EBB67]" . . "Chernovets, T." . "Lahoda, M." . . "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."@en . "Brezovsk\u00FD, Jan" . . "RIV/00216224:14310/14:00074209" . . "10" . . "\u0160t\u011Bp\u00E1nkov\u00E1, Veronika" .