9LUG
Crystal structure of SARS-Cov-2 main protease E166V 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) | ORF1a polyprotein | polymer | 302 | 33360.1 | 2 | UniProt (A0A7U3EXT3) Pfam (PF05409) UniProt (by SIFTS) (A0A8B6R9L9) | Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1a |
| 2 | C, D (A, 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 | 2 | BIRD (PRD_002347) Chemie (FHR) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 309 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 303 (UniProt: A0A7U3EXT3)
| PDB | External Database | Details |
|---|---|---|
| Val 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66720.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 905.1 | |
| All* | Total formula weight | 67625.3 |
