7GI6
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-THA-4aa06b95-1 (Mpro-P0056)
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 | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
2 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
3 | A, B | (4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide | non-polymer | 380.8 | 2 | Chemie (QD4) | |||
4 | water | water | 18.0 | 411 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 67651.1 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 1152.3 | |
All* | Total formula weight | 68803.4 |