7S6X
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30
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-amino-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 | 550.7 | 1 | Chemie (I70) | |||
3 | water | water | 18.0 | 148 | 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 | 550.7 | |
All* | Total formula weight | 34318.2 |