9ZJB
Crystal structure of MERS 3CL protease in complex with inhibitor IKR-I-46
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase nsp5 | polymer | 313 | 34314.2 | 1 | UniProt (K9N638) | Middle East respiratory syndrome-related coronavirus | 3CL-PRO,3CLp,nsp5 |
| 2 | B (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) PubChem (271) | |||
| 3 | C (A) | N~2~-[(2S,4S)-3-benzyl-4-methyl-2-oxo-1,3,2lambda~5~-oxazaphospholidin-2-yl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | non-polymer | 480.5 | 1 | Chemie (A1C2K) | |||
| 4 | D (A) | water | water | 18.0 | 94 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: K9N638)
| PDB | External Database | Details |
|---|---|---|
| Met -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34314.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 520.6 | |
| All* | Total formula weight | 34834.9 |
