8YWY
Crystal structure of SARS-Cov-2 main protease E166N 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 (A) | 3C-like proteinase nsp5 | polymer | 302 | 33419.1 | 1 | UniProt (P0DTC1) 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 | B (A) | ~{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 | C (A) | water | water | 18.0 | 83 | Chemie (HOH) |
Sequence modifications
A: 3 - 304 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Arg 90 | Lys 3353 | variant |
| Asn 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33419.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 452.5 | |
| All* | Total formula weight | 33871.7 |
