8YWZ
Crystal structure of SARS-Cov-2 main protease H163A mutant in complex with Bofutrelvir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 3C-like proteinase nsp5 | polymer | 296 | 32720.4 | 2 | UniProt (P0DTD1) Pfam (PF05409) | 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 | C (B) | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | non-polymer | 452.5 | 1 | BIRD (PRD_002347) Chemie (FHR) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 341 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 298 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ala 142 | Asn 3405 | conflict |
| Ala 163 | His 3426 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65440.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 452.5 | |
| All* | Total formula weight | 65893.3 |
