7GI3
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 MAT-POS-090737b9-1 (Mpro-P0041)
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 | 18 | Chemie (DMS) | |||
| 3 | A, B | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | non-polymer | 394.9 | 2 | Chemie (Q0I) | |||
| 4 | B, A | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 5 | B | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 6 | water | water | 18.0 | 258 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2413.4 | |
| All* | Total formula weight | 70064.5 |
