9PAJ
Crystal structure of HCoV-229E 3CLpro with ALG-0987655 (inhibitor 2)
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 | polymer | 302 | 33083.6 | 2 | UniProt (P0C6X1) Pfam (PF05409) | Human coronavirus 229E | 3CL-PRO,3CLp,M-PRO,nsp5,p34 |
| 2 | C, D (A, B) | (1R,2S,3S,6R,7S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-[(2S)-4,4,4-trifluoro-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3-carboxamide (non-preferred name) | non-polymer | 579.5 | 2 | Chemie (A1CHJ) | |||
| 3 | E (B) | DODECAETHYLENE GLYCOL | non-polymer | 546.6 | 1 | Chemie (12P) PubChem (81248) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 573 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66167.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1705.7 | |
| All* | Total formula weight | 67872.9 |
