8DZ1
Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir
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) | Replicase polyprotein 1ab | polymer | 306 | 33807.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | pp1ab,ORF1ab polyprotein |
| 2 | C, D, F (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 3 | E, G (A, B) | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | non-polymer | 531.9 | 2 | Chemie (7YY) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 82 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ile 49 | Met 3312 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67615.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1298.2 | |
| All* | Total formula weight | 68913.2 |
