7LBS
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Non-structural protein 3 | polymer | 316 | 35758.6 | 2 | UniProt (P0DTC1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | nsp3, PL2-PRO, Papain-like protease, Papain-like proteinase, PL-PRO |
| 2 | C, J (A, B) | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide | non-polymer | 474.7 | 2 | Chemie (XR8) | |||
| 3 | D, K (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, H, L, P (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | F, G, I, O (A, B) | BORIC ACID | non-polymer | 61.8 | 4 | Chemie (BO3) | |||
| 6 | M, N (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | Q, R (A, B) | water | water | 18.0 | 16 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 315 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71517.2 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1895.9 | |
| All* | Total formula weight | 73413.1 |
