9WO4
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with Telaprevir
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 | 33466.2 | 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) | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | non-polymer | 681.9 | 1 | BIRD (PRD_002448) Chemie (SV6) PubChem (59235547) | |||
| 3 | C (A) | water | water | 18.0 | 51 | Chemie (HOH) |
Sequence modifications
A: 3 - 304 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Phe 46 | Ser 3309 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33466.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 681.9 | |
| All* | Total formula weight | 34148.1 |
