5RHE
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)
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) | 3CL-PRO, 3CLp |
| 2 | B (A) | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide | non-polymer | 277.3 | 1 | Chemie (UPD) | |||
| 3 | C, D, E, F, G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 4 | H (A) | water | water | 18.0 | 326 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33825.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 668.0 | |
| All* | Total formula weight | 34493.5 |
