4XUI
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Replaces: 4PI4Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | Cruzipain | polymer | 216 | 22772.2 | 3 | UniProt (P25779) Pfam (PF00112) In PDB | Trypanosoma cruzi | Cruzaine,Major cysteine proteinase |
| 2 | A, B, C | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide | non-polymer | 601.7 | 3 | Chemie (2VC) | |||
| 3 | C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 81 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 68316.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2053.4 | |
| All* | Total formula weight | 70370.0 |
