8UUY
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
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 (P0DTC1) Pfam (PF08715) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus) | nsp3, PL2-PRO, Papain-like protease, Papain-like proteinase, PL-PRO |
| 2 | B (A) | N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | non-polymer | 519.7 | 1 | Chemie (Y2R) | |||
| 3 | C (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | D (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 5 | E (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | F, G, H, I, J... (A) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 7 | N, O, P (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 8 | Q (A) | water | water | 18.0 | 100 | Chemie (HOH) |
Sequence modifications
A: 1 - 315 (UniProt: P0DTC1)
| 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 | 15 |
| Total formula weight | 1464.7 | |
| All* | Total formula weight | 37408.5 |
