9ZJ4
Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor IKR-I-45
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 | polymer | 309 | 34068.8 | 1 | UniProt (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | B (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 3 | C (A) | N~2~-[(2S,4S)-3-benzyl-4-methyl-2-oxo-1,3,2lambda~5~-oxazaphospholidin-2-yl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | non-polymer | 478.5 | 1 | Chemie (A1C2T) | |||
| 4 | D (A) | water | water | 18.0 | 13 | Chemie (HOH) |
Sequence modifications
A: 1 - 305 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -3 | - | expression tag |
| Asn -2 | - | expression tag |
| Ile -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34068.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 514.0 | |
| All* | Total formula weight | 34582.8 |
