12WB
The structure of the C117D variant of the COVID-2 main protease in complex with 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 (A, C) | 3C-like proteinase nsp5 | polymer | 306 | 33837.5 | 2 | UniProt (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, D (A, C) | (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) PubChem (137349627) | |||
| 3 | E, F (A, C) | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Asp 117 | Cys 3380 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67675.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 971.1 | |
| All* | Total formula weight | 68646.1 |
