8Q0V
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-073)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B | Endothiapepsin | polymer | 330 | 33813.9 | 1 | UniProt (P11838) Pfam (PF00026) In PDB | Cryphonectria parasitica (chestnut blight fungus) | Aspartate protease |
| 2 | B | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | non-polymer | 463.5 | 1 | Chemie (IKA) | |||
| 3 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 784.9 | |
| All* | Total formula weight | 34598.8 |
