7M1Y
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen
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) | Papain-like protease | polymer | 318 | 35927.7 | 2 | UniProt (P0DTC1) Pfam (PF08715) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | Non-structural protein 3, nsp3, PL2-PRO, Papain-like proteinase, PL-PRO |
| 2 | C, S (A, B) | N-phenyl-2-selanylbenzamide | non-polymer | 276.2 | 2 | Chemie (9JT) | |||
| 3 | D, T (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, U (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | F, V (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | AA, G, H, I, J... (B, A) | IODIDE ION | non-polymer | 126.9 | 13 | Chemie (IOD) | |||
| 7 | BA, M, N, O (B, A) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 8 | CA, P (B, A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 9 | DA, EA (A, B) | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 315 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Ser 111 | Cys 1674 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71855.4 | |
| Non-Polymers* | Number of molecules | 27 |
| Total formula weight | 2818.1 | |
| All* | Total formula weight | 74673.5 |
