8WTI
Crystal structure of the SARS-CoV-2 main protease in complex with 20j
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 | 33866.6 | 2 | UniProt (P0DTC1) In PDB | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | A, B | ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | non-polymer | 627.7 | 2 | Chemie (X1Z) | |||
| 3 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | water | water | 18.0 | 771 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| His 132 | Pro 3395 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67733.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1563.8 | |
| All* | Total formula weight | 69296.9 |
