8Q4B
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1)
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 (A) | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | non-polymer | 426.4 | 1 | Chemie (JCI) | |||
| 3 | C, G (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 4 | D, E (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | F, H, I (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 6 | J (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | K (A) | water | water | 18.0 | 248 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1121.4 | |
| All* | Total formula weight | 34935.3 |
