8R16
Structure of compound 12 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) | 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone | non-polymer | 335.2 | 2 | Chemie (XJ9) | |||
| 3 | D, E, F, N (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | G, O (A, B) | BROMIDE ION | non-polymer | 79.9 | 2 | Chemie (BR) | |||
| 5 | I, J, K, L (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 6 | M (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 683 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1243.3 | |
| All* | Total formula weight | 68894.4 |
