4KLB
Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E (A, B, C, D, E) | Cruzipain | polymer | 215 | 22715.1 | 5 | UniProt (P25779) Pfam (PF00112) | Trypanosoma cruzi | Cruzaine, Major cysteine proteinase |
| 2 | F, G, H (A, B, C) | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide | non-polymer | 283.3 | 3 | Chemie (1RV) | |||
| 3 | I, J, K, L, M (A, B, C, D, E) | water | water | 18.0 | 109 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 113575.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 850.0 | |
| All* | Total formula weight | 114425.7 |
