9HJH
Structure of compound 1 bound to SARS-CoV-2 main protease
This is a non-PDB format compatible entry.
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 nsp5 | polymer | 306 | 33825.5 | 2 | UniProt (P0DTC1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, I (A, B) | (2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide | non-polymer | 507.9 | 2 | Chemie (A1IVK) | |||
| 3 | D, E, J, K (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 4 | F, G, H (A) | BROMIDE ION | non-polymer | 79.9 | 3 | Chemie (BR) | |||
| 5 | L (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 688 | 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 | 1526.7 | |
| All* | Total formula weight | 69177.8 |
