9PVK
SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 53
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 | 326 | 37096.0 | 1 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | F (A) | (7M)-8-methyl-1'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine] | non-polymer | 497.7 | 1 | Chemie (A1CLL) | |||
| 5 | G (A) | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence modifications
A: 0 - 316 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Ser 111 | Cys 1674 | engineered mutation |
| Ser 270 | Cys 1833 | conflict |
| Leu 317 | - | expression tag |
| Glu 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
| His 324 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37096.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 749.3 | |
| All* | Total formula weight | 37845.3 |
