8K6D
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
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 | 306 | 33833.6 | 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}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | non-polymer | 526.4 | 1 | Chemie (J7R) | |||
| 3 | C (A) | water | water | 18.0 | 356 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Lys 49 | Met 3312 | engineered mutation |
| Pro 301 | Ser 3564 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33833.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 526.4 | |
| All* | Total formula weight | 34359.9 |
