8PH4
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
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) | MALONATE ION | non-polymer | 102.0 | 1 | Chemie (MLI) | |||
| 3 | D, E, G, H (A, B) | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide | non-polymer | 503.6 | 4 | Chemie (YQN) | |||
| 4 | F, J (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | I (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 249 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2240.5 | |
| All* | Total formula weight | 69891.6 |
