4W5B
Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)
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 (A, B, C) | Cruzipain | polymer | 215 | 22699.1 | 3 | UniProt (P25779) Pfam (PF00112) | Trypanosoma cruzi | Cruzaine,Major cysteine proteinase |
| 2 | D, E, F (A, B, C) | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide | non-polymer | 255.3 | 3 | Chemie (3H5) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 88 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 215 (UniProt: P25779)
| PDB | External Database | Details |
|---|---|---|
| Ser 25 | Cys 147 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 68097.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 765.8 | |
| All* | Total formula weight | 68863.0 |
