7GRE
Crystal structure of SARS-CoV-2 main protease in complex with cpd-1
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 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C (A) | 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine | non-polymer | 213.2 | 1 | Chemie (XWH) | |||
| 3 | D, E, F, G, I... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 10 | Chemie (DMS) | |||
| 4 | H, N (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | O (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | Q, R (A, B) | water | water | 18.0 | 544 | 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 | 1075.9 | |
| All* | Total formula weight | 68727.0 |
