7S74
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
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 | polymer | 306 | 33767.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2 COVID-19 virus) | Main protease, 3CL protease |
| 2 | C, D (A, B) | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | non-polymer | 497.7 | 2 | Chemie (I68) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 366 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ala 178 | Glu 3441 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67535.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 995.3 | |
| All* | Total formula weight | 68530.4 |
