29OK
PanDDA deposition -- Crystal Structure of SARS-CoV-2 main protease covalently bound to KL_C172
This is a non-PDB format compatible entry.
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 | 305 | 33697.4 | 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, D, E, F, G... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 16 | Chemie (DMS) PubChem (679) | Severe acute respiratory syndrome coronavirus 2 | ||
| 3 | I (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | Severe acute respiratory syndrome coronavirus 2 | ||
| 4 | M, S (A, B) | N-[(2-bromanyl-5-sulfamoyl-phenyl)methyl]-2-(iminomethyl)pyrimidine-4-carboxamide | non-polymer | 398.2 | 2 | Chemie (A1J3E) | Severe acute respiratory syndrome coronavirus 2 | ||
| 5 | V, W (A, B) | water | water | 18.0 | 244 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67394.8 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2082.1 | |
| All* | Total formula weight | 69476.9 |
