9PAB
Crystal structure of HCoV HKU1 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, B (A, B) | 3C-like proteinase nsp5 | polymer | 302 | 33141.9 | 2 | UniProt (P0C6X2) | Human coronavirus HKU1 | 3CL-PRO,3CLp,M-PRO,nsp5,p27 |
| 2 | C, D (A, B) | (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 | 2 | Chemie (A1CHF) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 153 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 302 (UniProt: P0C6X2)
| PDB | External Database | Details |
|---|---|---|
| Phe 204 | Val 3538 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66283.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1123.1 | |
| All* | Total formula weight | 67406.9 |
