8B56
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | 3C-like proteinase nsp5 | polymer | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | A, B | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide | non-polymer | 446.8 | 2 | Chemie (OZI) | |||
| 3 | B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | B | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 5 | water | water | 18.0 | 193 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1044.4 | |
| All* | Total formula weight | 68695.5 |
