9DNU
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13296
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-5-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-{(1R)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide | non-polymer | 494.6 | 1 | Chemie (A1BEG) | |||
| 3 | C (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | D, E, F, G, H... (A) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 5 | L, M, N, O (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 6 | P (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 7 | Q (A) | water | water | 18.0 | 248 | 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 | 15 |
| Total formula weight | 1280.8 | |
| All* | Total formula weight | 37224.6 |
