9ATS
Crystal structure of MERS 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer)
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) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) | Middle East respiratory syndrome-related coronavirus | 3CL-PRO,3CLp,nsp5 |
| 2 | B (A) | (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 588.7 | 1 | Chemie (A1AGX) | |||
| 3 | C (A) | water | water | 18.0 | 11 | 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 | 1 |
| Total formula weight | 588.7 | |
| All* | Total formula weight | 34903.0 |
