23MH
Crystal structure of SARS-CoV-2 main protease T21I/E166V 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 | 33807.6 | 2 | UniProt (P0DTC1) 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, F, G, H, I (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) PubChem (753) | |||
| 4 | J, K (A, B) | water | water | 18.0 | 287 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ile 21 | Thr 3284 | engineered mutation |
| Val 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67615.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1743.9 | |
| All* | Total formula weight | 69359.1 |
