8C6P
Fragment screening hit I bound to endothiapepsin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endothiapepsin | polymer | 419 | 43278.7 | 1 | UniProt (P11838) Pfam (PF00026) | Cryphonectria parasitica (chestnut blight fungus) | Aspartate protease |
| 2 | B (A) | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile | non-polymer | 229.3 | 1 | Chemie (TT6) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 504 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43278.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 321.4 | |
| All* | Total formula weight | 43600.1 |
