6XBH
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase | polymer | 308 | 34094.9 | 1 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B (C) | inhibitor UAW247 | polymer | 3 | 437.5 | 1 | BIRD (PRD_002393) | synthetic construct | |
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E, F (A, C) | water | water | 18.0 | 221 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| His -1 | - | expression tag |
| Met 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 34532.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 115.1 | |
| All* | Total formula weight | 34647.5 |
