8Q0X
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087)
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) Pfam (PF00026) | Cryphonectria parasitica (chestnut blight fungus) | Aspartate protease |
| 2 | B, D, F, H (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 3 | C (A) | (3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | non-polymer | 467.5 | 1 | Chemie (IL4) | |||
| 4 | E, G (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | I (A) | water | water | 18.0 | 252 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 898.1 | |
| All* | Total formula weight | 34712.0 |
