8YKL
Crystal structure of MERS main protease in complex with X77
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 (W5ZZG0) Pfam (PF05409) | Middle East respiratory syndrome-related coronavirus | |
| 2 | C, D (A, B) | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | non-polymer | 459.6 | 2 | Chemie (X77) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 187 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 301 (UniProt: W5ZZG0)
| PDB | External Database | Details |
|---|---|---|
| Ala 148 | Cys 3395 | engineered mutation |
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 | 919.2 | |
| All* | Total formula weight | 66360.0 |
