7NT4
X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor
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 | 318 | 35930.8 | 2 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO |
| 2 | C, D, E, M, N... (A, B) | PROFLAVIN | non-polymer | 209.2 | 6 | Chemie (PRL) | |||
| 3 | F, G, H, I, P... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 4 | J, S (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | K, L, T, U, V (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 6 | W, X (A, B) | water | water | 18.0 | 193 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 316 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Met 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71861.7 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2301.1 | |
| All* | Total formula weight | 74162.7 |
