6n3s | pdb_00006n3s

Crystal structure of apo-cruzain

spinqualitylabelsall models 6n3s, resolution 1.19Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6n3s is a 2 chain structure with sequence from Trycr. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: EDO, PO4 Activity: Cruzipain, with EC number 3.4.22.51 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [CYSP_TRYCR] Hydrolyzes chromogenic peptides at the carboxyl Arg or Lys; requires at least one more amino acid, preferably Arg, Phe, Val or Leu, between the terminal Arg or Lys and the amino-blocking group. The cysteine protease may play an important role in the development and differentiation of the parasites at several stages of their life cycle. Publication Abstract from PubMed 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 A 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. Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.,Barbosa da Silva E, Dall E, Briza P, Brandstetter H, Ferreira RS Acta Crystallogr F Struct Biol Commun. 2019 Jun 1;75(Pt 6):419-427. doi:, 10.1107/S2053230X19006320. Epub 2019 May 13. PMID:31204688 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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