8VDJ
Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235
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 | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 ( SARS-CoV-2 2019-nCoV COVID-19 virus) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, D (A, B) | 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide | non-polymer | 539.5 | 2 | Chemie (A1AA0) | |||
| 3 | E (B) | THIOCYANATE ION | non-polymer | 58.1 | 1 | Chemie (SCN) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 152 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1137.2 | |
| All* | Total formula weight | 68788.3 |
