23ML
Crystal structure of SARS-CoV-2 main protease Q189K mutant in complex with leritrelvir
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) | 3C-like proteinase nsp5 | polymer | 306 | 33826.6 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, D (A, B) | Leritrelvir bound form | non-polymer | 641.7 | 2 | Chemie (7ON) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 224 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Lys 189 | Gln 3452 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67653.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1283.4 | |
| All* | Total formula weight | 68936.6 |
