6WTT
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C | 3C-like proteinase | polymer | 310 | 34379.1 | 3 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | |
2 | A, B | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 485.6 | 2 | Chemie (K36) | |||
3 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | A, B, C | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
6 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
7 | C | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 485.6 | 1 | Chemie (B1S) | |||
8 | water | water | 18.0 | 327 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 304 (UniProt: P0DTD1)
PDB | External Database | Details |
---|---|---|
His 305 | - | expression tag |
His 306 | - | expression tag |
His 307 | - | expression tag |
His 308 | - | expression tag |
His 309 | - | expression tag |
His 310 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 103137.4 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1880.7 | |
All* | Total formula weight | 105018.1 |