7GRX
Crystal structure of SARS-CoV-2 main protease in complex with cpd-20
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 nsp5 | polymer | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, D, E, F, H... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 12 | Chemie (DMS) | |||
| 3 | G, P (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | K, Q (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | N (B) | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione | non-polymer | 211.2 | 1 | Chemie (XZT) | |||
| 6 | T, U (A, B) | water | water | 18.0 | 566 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1265.6 | |
| All* | Total formula weight | 68916.7 |
