23MA
Crystal structure of SARS-CoV-2 main protease H172Y 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 | 34580.4 | 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, E (A, B) | Leritrelvir bound form | non-polymer | 641.7 | 2 | Chemie (7ON) | |||
| 3 | D (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Tyr 172 | His 3435 | 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 | 69160.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1375.5 | |
| All* | Total formula weight | 70536.4 |
