6W79
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Main protease | polymer | 306 | 33876.6 | 1 | Pfam (PF05409) UniProt (by SIFTS) (P0C6X7) | SARS-COV-2 | |
| 2 | B (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | C (A) | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | non-polymer | 459.6 | 1 | Chemie (X77) | |||
| 4 | D, E (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 5 | F (A) | water | water | 18.0 | 563 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33876.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 928.2 | |
| All* | Total formula weight | 34804.8 |
