8HHU
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase nsp5 | polymer | 306 | 33866.6 | 1 | UniProt (P0DTC1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B (A) | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide | non-polymer | 538.6 | 1 | Chemie (LVX) | |||
| 3 | C (A) | water | water | 18.0 | 217 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| His 132 | Pro 3395 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33866.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 538.6 | |
| All* | Total formula weight | 34405.2 |
