High-Throughput Screening and Data Analysis

In parallel to the prioritization of the HTS hit series, we were able to establish X-ray crystallography for the activated CatA. To obtain the active form of the CatA enzyme, the 54kDa CatA precursor was proteolytically transformed into the active mature form by cleavage of a 2 kDA excision peptide with trypsin-sepharose followed by gel filtration. The activated protein was crystallized and the initial structure was solved using the structure of the precursor as a search model. The mature enzyme consists of two polypeptides, which are linked together by disulfide bonds to form a monomer. 

Fingerprint-based clustering CatA activity on Bradykinin 

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Galdwell, J.S. and Janes, J. (2006) High-throughput screening and data analysis. Methods and Principles in Medicinal Chemistry, 35, 297-322. 

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