8HUT
Crystal structure of MERS main protease in complex with S217622
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) | ORF1a | polymer | 300 | 32720.4 | 2 | UniProt (T2B9I2) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) | Middle East respiratory syndrome-related coronavirus (MERS-CoV) | |
| 2 | C, D (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) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 130 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 301 (UniProt: T2B9I2)
| PDB | External Database | Details |
|---|---|---|
| Ala 148 | Cys 3395 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65440.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1063.8 | |
| All* | Total formula weight | 66504.6 |
