8YKQ
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with X77
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 nsp5 | polymer | 299 | 33196.9 | 1 | 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 | B (A) | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | non-polymer | 459.6 | 1 | Chemie (X77) | |||
| 3 | C (A) | water | water | 18.0 | 51 | Chemie (HOH) |
Sequence modifications
A: 3 - 301 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Phe 186 | Val 3449 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33196.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 459.6 | |
| All* | Total formula weight | 33656.5 |
