8UH9
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase nsp5 | polymer | 306 | 33795.6 | 1 | 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 | B (A) | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | non-polymer | 655.7 | 1 | Chemie (WOK) | |||
| 3 | C (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | D (A) | water | water | 18.0 | 4 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Val 166 | Glu 3429 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33795.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 761.8 | |
| All* | Total formula weight | 34557.4 |
