6XBI
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | 3C-like proteinase | polymer | 308 | 34094.9 | 2 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
2 | D, E | inhibitor UAW248 | polymer | 5 | 587.7 | 2 | BIRD (PRD_002394) | synthetic construct | |
3 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
4 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
5 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
6 | water | water | 18.0 | 374 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 4 |
Total formula weight | 69365.2 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 285.3 | |
All* | Total formula weight | 69650.5 |