7TQ7
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Orf1a protein | polymer | 313 | 34314.2 | 1 | UniProt (A0A1L2E0X0) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) | Middle East respiratory syndrome-related coronavirus | |
| 2 | B (A) | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide | non-polymer | 409.5 | 1 | Chemie (IRR) | |||
| 3 | C (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 4 | D (A) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: A0A1L2E0X0)
| 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 | 603.7 | |
| All* | Total formula weight | 34918.0 |
