8WTS
SARS-CoV-2 3CLpro bound to covalent inhibitor
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})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide | non-polymer | 521.3 | 1 | Chemie (XDQ) | |||
| 3 | C, D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | E, F, G, H (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | I (A) | water | water | 18.0 | 251 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33697.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 787.3 | |
| All* | Total formula weight | 34484.7 |
