9JGX
Crystal structure of SARS-Cov-2 main protease E166N mutant in complex with Ibuzatrelvir
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 | 33391.1 | 1 | 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 | B (A) | N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | non-polymer | 491.5 | 1 | Chemie (YDL) | |||
| 3 | C (A) | water | water | 18.0 | 62 | Chemie (HOH) |
Sequence modifications
A: 3 - 304 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Asn 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33391.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 491.5 | |
| All* | Total formula weight | 33882.6 |
