8YKM
Crystal structure of SARS-Cov-2 main protease G15S 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, B (A, B) | 3C-like proteinase nsp5 | polymer | 298 | 33091.8 | 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, D (A, B) | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | non-polymer | 459.6 | 2 | Chemie (X77) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 113 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 300 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ser 15 | Gly 3278 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66183.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 919.2 | |
| All* | Total formula weight | 67102.7 |
