4PI3
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Cruzipain | polymer | 216 | 22772.2 | 2 | UniProt (P25779) Pfam (PF00112) | Trypanosoma cruzi | Cruzaine,Major cysteine proteinase |
| 2 | C, D (A, B) | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide | non-polymer | 599.7 | 2 | Chemie (2V5) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 459 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 45544.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1199.5 | |
| All* | Total formula weight | 46743.9 |
