9ZZH
Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor CSD-V-169
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, B (A, B) | 3C-like proteinase | polymer | 309 | 34068.8 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | C, G (A, B) | methyl (2S,4R)-3-benzyl-2-{[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxo-1,3,2lambda~5~-oxazaphospholidine-4-carboxylate | non-polymer | 524.5 | 2 | Chemie (A1C4H) | |||
| 3 | D, E (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 4 | F (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 5 | H (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) PubChem (8200) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 222 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 68137.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1491.0 | |
| All* | Total formula weight | 69628.6 |
