5RGX
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1344037997 (Mpro-x2572)
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 main protease |
| 2 | B (A) | 2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide | non-polymer | 251.3 | 1 | Chemie (UGP) | |||
| 3 | C, D, E, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 4 | G (A) | water | water | 18.0 | 227 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33825.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 563.8 | |
| All* | Total formula weight | 34389.4 |
