8R14
Structure of compound 11 bound to SARS-CoV-2 main protease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 3C-like proteinase | polymer | 306 | 33825.5 | 2 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, H (A, B) | (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone | non-polymer | 364.3 | 2 | Chemie (XHW) | |||
| 3 | D (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 4 | E, L (A, B) | BROMIDE ION | non-polymer | 79.9 | 2 | Chemie (BR) | |||
| 5 | F, G (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | I, J (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | K (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | M, N (A, B) | water | water | 18.0 | 648 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1316.6 | |
| All* | Total formula weight | 68967.7 |
