Cruzain structures

apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design

Elany Barbosa da Silva, Elfriede Dall, Peter Briza, Hans Brandstetter, Rafaela Salgado Ferreira

Publikation: Beitrag in FachzeitschriftArtikel


Chagas disease, which is caused by Trypanosoma cruzi, affects more than six
million people worldwide. Cruzain is the major cysteine protease involved in the
survival of this parasite. Here, the expression, purification and crystallization
of this enzyme are reported. The cruzain crystals diffracted to 1.2 Å resolution,
yielding two novel cruzain structures: apocruzain and cruzain bound to the
reversible covalent inhibitor S-methyl thiomethanesulfonate. Mass-spectrometric
experiments confirmed the presence of a methylthiol group attached to the
catalytic cysteine. Comparison of these structures with previously published
structures indicates the rigidity of the cruzain structure. These results provide
further structural information about the enzyme and may help in new in silico
studies to identify or optimize novel prototypes of cruzain inhibitors.
Seiten (von - bis)419-427
FachzeitschriftActa Crystallographica Section F: Structural Biology Communications
AusgabenummerPt 6
PublikationsstatusVeröffentlicht - 1 Jun 2019

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