8INW
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor nirmatrelvir
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 | 33853.6 | 1 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
2 | A | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | non-polymer | 501.5 | 1 | Chemie (4WI) | |||
3 | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
PDB | External Database | Details |
---|---|---|
Arg 90 | Lys 3353 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 33853.6 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 501.5 | |
All* | Total formula weight | 34355.1 |