4OW0
X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
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 | 316 | 35568.3 | 2 | UniProt (P0C6U8) Pfam (PF08715) | SARS coronavirus | NON-STRUCTURAL PROTEIN 3, NSP3, PL2-PRO, PL-PRO, SARS CORONAVIRUS MAIN PROTEINASE |
| 2 | C, H (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, I (A, B) | N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | non-polymer | 390.5 | 2 | Chemie (S88) | |||
| 4 | E, G, J (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 5 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 184 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 316 (UniProt: P0C6U8)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71136.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1238.3 | |
| All* | Total formula weight | 72374.8 |
