Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods

Proteins: Structure, Function and Genetics

Volumn 70, Issue 3, 2008, Pages 707-717

  Otyepka, Michal ^a   Banáš, Pavel ^a   Magistrato, Alessandra ^b   Carloni, Paolo ^b   Damborský, Jiří ^c  

^a PALACKÝ UNIVERSITY   (Czech Republic)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c MASARYK UNIVERSITY   (Czech Republic)

Author keywords

Catalytic triad; Enzyme dynamics; Ester hydrolysis; Reaction mechanism; Tetrahedral intermediate

Indexed keywords

ALCOHOL; ASPARTIC ACID; ESTER; GLUTAMIC ACID; HALOALKANE DEHALOGENASE; HISTIDINE; HYDROLASE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CALCULATION; CATALYSIS; CONFORMATION; DEHALOGENATION; ELECTRICITY; ENERGY; HYDROLYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS; SPHINGOMONAS PAUCIMOBILIS; X RAY ANALYSIS;

BACTERIAL PROTEINS; BINDING SITES; CATALYSIS; HALOGENATION; HYDROLASES; HYDROLYSIS; KINETICS; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTUM THEORY; SPHINGOMONAS; THERMODYNAMICS;

SPHINGOMONAS PAUCIMOBILIS;

EID: 38549135558     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21523     Document Type: Article

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