8H3L
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | 3C-like proteinase nsp5 | polymer | 306 | 33807.6 | 4 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | E, F, G, H (A, B, C, D) | 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 | 4 | Chemie (7YY) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 312 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 135230.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2127.5 | |
| All* | Total formula weight | 137358.0 |
