9PAE
Crystal structure of HCoV OC43 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, C, D (A, B, C, D) | 3C-like proteinase | polymer | 303 | 33503.4 | 4 | UniProt (U3M6R3) | Human coronavirus OC43 | |
| 2 | E, F, G, H (A, B, C, D) | (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 | 4 | Chemie (A1CHF) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 413 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 303 (UniProt: U3M6R3)
| PDB | External Database | Details |
|---|---|---|
| Leu 194 | Pro 3440 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 134013.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2246.2 | |
| All* | Total formula weight | 136259.8 |
