8XTD
SARS-CoV-2 papain-like-protease (PLpro) in complex with inhibitor Linagliptin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Non-structural protein 3 | polymer | 315 | 35655.4 | 1 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 | Papain-like proteinase, nsp3, PL2-PRO, PL-PRO |
| 2 | B (A) | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione | non-polymer | 472.5 | 1 | Chemie (356) | |||
| 3 | C, D, E, F, G... (A) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 4 | I (A) | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A: 1 - 315 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser 111 | Cys 1674 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35655.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1025.1 | |
| All* | Total formula weight | 36680.5 |
