7S75
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
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)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | non-polymer | 492.7 | 1 | Chemie (8I7) | |||
| 3 | water | water | 18.0 | 161 | 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 | 492.7 | |
| All* | Total formula weight | 34260.2 |
