3LXS
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)
Replaces: 2EFMEntity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Cruzain | polymer | 215 | 22715.1 | 2 | UniProt (P25779) Pfam (PF00112) In PDB | Trypanosoma cruzi | CRUZIPAIN, CRUZAINE, Major cysteine proteinase |
| 2 | A, C | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E | non-polymer | 583.7 | 2 | Chemie (4MC) | |||
| 3 | A, C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 17 | Chemie (EDO) | |||
| 4 | C, A | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 5 | water | water | 18.0 | 485 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 45430.3 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2895.1 | |
| All* | Total formula weight | 48325.4 |
