7GIB
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-2d450e86-10 (Mpro-P0064)
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, B) | 3C-like proteinase | polymer | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | C, D, E, G, H... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 11 | Chemie (DMS) | |||
| 3 | F, M (A, B) | 2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | non-polymer | 280.3 | 2 | Chemie (QER) | |||
| 4 | I (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | Q, R (A, B) | water | water | 18.0 | 363 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1455.5 | |
| All* | Total formula weight | 69106.6 |
