7GHT
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-c9c1e0d8-3 (Mpro-P0019)
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 | 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, D, E, G, H... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 11 | Chemie (DMS) | |||
| 3 | F, L (A, B) | (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | non-polymer | 336.8 | 2 | Chemie (OWC) | |||
| 4 | I, Q, R (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | S, T (A, B) | water | water | 18.0 | 334 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1639.5 | |
| All* | Total formula weight | 69290.5 |
