8HUW
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | 3C-like proteinase nsp5 | polymer | 299 | 33176.8 | 2 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) 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, B | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | non-polymer | 531.9 | 2 | Chemie (7YY) | |||
| 3 | water | water | 18.0 | 154 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 301 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Arg 90 | Lys 3353 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66353.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1063.8 | |
| All* | Total formula weight | 67417.4 |
