9PA9
Crystal structure of SARS-CoV-2 3CLpro with ALG-097608 (Inhibitor 1)
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 (A) | 3C-like proteinase nsp5 | polymer | 301 | 33293.0 | 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,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name) | non-polymer | 561.5 | 1 | Chemie (A1CHF) | |||
| 3 | C, D, E (A) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
| 4 | F (A) | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33293.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 846.5 | |
| All* | Total formula weight | 34139.4 |
