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 (A, B, C) | 3C-like proteinase | polymer | 310 | 34379.1 | 3 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | |
| 2 | D, K (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 | E (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | G, H, I, L, O (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 6 | J, M (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | N (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 | P, Q, R (A, B, C) | 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 |
