7AY7
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase | polymer | 306 | 33825.5 | 1 | 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 | B, C (A) | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine | non-polymer | 272.4 | 2 | Chemie (S8T) | |||
| 3 | D, E, G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 4 | F (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 5 | H (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | I (A) | water | water | 18.0 | 339 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33825.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 954.4 | |
| All* | Total formula weight | 34779.9 |
