title: BioCatNet: A Database System for the Integration of Enzyme Sequences and Biocatalytic Experiments.
abstract: The development of novel enzymes for biocatalytic processes requires knowledge on substrate profile and selectivity; this can be derived from databases and from publications. Often, these sources lack time-course data for the substrate or product, and an unambiguous link between experiment and enzyme sequence. The lack of integrated, original data hampers the comprehensive analysis of enzyme kinetics and the evaluation of sequence-function relationships. In order to accelerate enzyme engineering, BioCatNet integrates protein sequence, protein structure, and experimental data for a given enzyme family. BioCatNet explicitly assigns the enzyme sequence to the experimental data, which consists of information on reaction conditions and time-course data. BioCatNet facilitates the consistent documentation of reaction conditions, the archiving of time-course data, and the efficient exchange of experimental data among collaborators. Data integration is demonstrated for three case studies by using the TEED (Thiamine diphosphate-dependent Enzymes Engineering Database).
authors: Institute of Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569, Stuttgart, Germany.
authors: Patrick C F
authors: PC
authors: Buchholz
authors: Institute of Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569, Stuttgart, Germany.
authors: Constantin
authors: C
authors: Vogel
authors: Institute of Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569, Stuttgart, Germany.
authors: Waldemar
authors: W
authors: Reusch
authors: IBG-1: Biotechnology, Forschungszentrum Jülich GmbH, 52425, Jülich, Germany.
authors: Martina
authors: M
authors: Pohl
authors: IBG-1: Biotechnology, Forschungszentrum Jülich GmbH, 52425, Jülich, Germany.
authors: Dörte
authors: D
authors: Rother
authors: Institute of Biochemical Engineering, Technical University of Braunschweig, Rebenring 56, 38106, Braunschweig, Germany.|RWTH Aachen University, AVT.EPT, Worringerweg 1, 52074, Aachen, Germany.
authors: Antje C
authors: AC
authors: Spieß
authors: Institute of Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569, Stuttgart, Germany. Juergen.Pleiss@itb.uni-stuttgart.de.
authors: Jürgen
authors: J
authors: Pleiss
mesh_terms: D000595:Amino Acid Sequence; D055162:Biocatalysis; D030562:Databases, Protein; D004798:Enzymes / Q000737:chemistry* / Q000378:metabolism*; D015202:Protein Engineering
chemical_list: D004798:Enzymes
keywords: biocatalysis; data management; enzymes; kinetics; protein design; sequence-function relationship