9WHE
A novel, covalent and highly synthetically accessible SARS-CoV-2 Mpro chloroacetamide inhibitor
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 (A) | 3C-like proteinase | polymer | 305 | 33697.4 | 1 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | B (A) | (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide | non-polymer | 471.5 | 1 | Chemie (A1MBL) | |||
| 3 | C (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | D, E, F, G, H... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 13 | Chemie (EDO) | |||
| 5 | Q (A) | water | water | 18.0 | 304 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33697.4 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1337.5 | |
| All* | Total formula weight | 35034.9 |
