23MK
Crystal structure of SARS-CoV-2 main protease P168 deletion and A173V 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 (A) | 3C-like proteinase nsp5 | polymer | 305 | 33756.5 | 1 | 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 | B (A) | Leritrelvir bound form | non-polymer | 641.7 | 1 | Chemie (7ON) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 4 | D (A) | water | water | 18.0 | 129 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| - | Pro 3431 | deletion |
| Val 173 | Ala 3436 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33756.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 733.8 | |
| All* | Total formula weight | 34490.3 |
