7VTH
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
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 | polymer | 311 | 34423.3 | 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 | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide | non-polymer | 499.4 | 2 | Chemie (7XB) | |||
| 3 | water | water | 18.0 | 218 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
| Leu 307 | - | expression tag |
| Val 308 | - | expression tag |
| Pro 309 | - | expression tag |
| Arg 310 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68846.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 998.8 | |
| All* | Total formula weight | 69845.5 |
