9DOI
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13306
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) | Papain-like protease nsp3 | polymer | 318 | 35943.8 | 1 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus) | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | B (A) | 2-methyl-N-{(1S)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}benzamide | non-polymer | 483.6 | 1 | Chemie (A1BEL) | |||
| 3 | C (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | E, F, G, H, I (A) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 6 | J, K, L, M, N (A) | ZINC ION | non-polymer | 65.4 | 5 | Chemie (ZN) | |||
| 7 | O (A) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A: 1 - 315 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35943.8 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1153.1 | |
| All* | Total formula weight | 37096.8 |
