Informatics in Medicine Unlocked (Jan 2022)
Crystallization and preliminary structural determination of the universal stress G4LZI3 protein from Schistosoma mansoni
Abstract
Schistosomiasis is the most severe water-borne disease in the tropics and subtropics, infecting more than 252 million people worldwide, but is most prevalent in Sub-Saharan Africa. Reduced efficacy of Praziquantel, the gold standard of treatment against the disease, and associated reports of drug resistance have diminished confidence in the drug, prompting efforts toward developing alternative or improved forms of medication. The Universal Stress G4LZI3 protein has been identified as a potential ‘lead' molecule. This manuscript reports the expression, purification, crystallization, and preliminary crystallographic data of the protein. Results showed the best diffraction resolution at 3.05 Å and that the crystals belong to space group P212121, with four molecules within the unit cell. Processing of the data, model building, and refinement were achieved by Phenix.mr_rosetta, Coot, and other Phenix programs, respectively, with the final produced structure possessing alpha helices, beta sheets, and a 310 helix. Further research aims to improve the model and use it for structure-based drug design.