8Q12
Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-146.2)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Endothiapepsin | polymer | 330 | 33813.9 | 1 | UniProt (P11838) In PDB | Cryphonectria parasitica (chestnut blight fungus) | Aspartate protease |
| 2 | A | (3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol | non-polymer | 410.5 | 2 | Chemie (IKN) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 4 | A | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 5 | A | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 3 | Chemie (MPD) | |||
| 6 | water | water | 18.0 | 316 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1743.3 | |
| All* | Total formula weight | 35557.2 |
