7S70
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C-like proteinase | polymer | 306 | 33767.5 | 1 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2 COVID-19 virus) | Main protease, 3CL protease |
| 2 | A | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | non-polymer | 606.8 | 1 | Chemie (8H3) | |||
| 3 | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ala 178 | Glu 3441 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33767.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 606.8 | |
| All* | Total formula weight | 34374.3 |
