23MC
Crystal structure of SARS-CoV-2 main protease M49I 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 | 312 | 34537.4 | 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, F (A, B) | Leritrelvir bound form | non-polymer | 641.7 | 2 | Chemie (7ON) | |||
| 3 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 257 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ile 49 | Met 3312 | engineered mutation |
| Leu 307 | - | expression tag |
| Glu 308 | - | expression tag |
| Val 309 | - | expression tag |
| Leu 310 | - | expression tag |
| Phe 311 | - | expression tag |
| Gln 312 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 69074.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1467.6 | |
| All* | Total formula weight | 70542.4 |
