8H3K
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 | 306 | 33829.6 | 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 | A | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM | non-polymer | 265.4 | 1 | Chemie (VIB) | |||
| 4 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 474 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Phe 50 | Leu 3313 | engineered mutation |
| Val 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67659.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1421.2 | |
| All* | Total formula weight | 69080.4 |
