8E65
Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C-like proteinase | polymer | 309 | 34068.8 | 1 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | A | (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 578.1 | 1 | Chemie (WF5) | |||
| 3 | water | water | 18.0 | 168 | Chemie (HOH) |
Sequence modifications
A: 1 - 305 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -3 | - | expression tag |
| Asn -2 | - | expression tag |
| Ile -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34068.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 578.1 | |
| All* | Total formula weight | 34646.9 |
