8Q14
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitro-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-171)
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 | 330 | 33813.9 | 1 | UniProt (P11838) | Cryphonectria parasitica (chestnut blight fungus) | Aspartate protease |
| 2 | B, C (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) PubChem (5288834) | |||
| 3 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 4 | E (A) | (3R,5R)-3-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-5-{3-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol | non-polymer | 508.5 | 1 | Chemie (IJS) PubChem (171905181) | |||
| 5 | F (A) | water | water | 18.0 | 323 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 823.0 | |
| All* | Total formula weight | 34636.8 |
