5WQ2
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
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 protein | polymer | 182 | 20092.1 | 1 | UniProt (E7E815) Pfam (PF00548) | Enterovirus A71 | 3C protease |
| 2 | B (A) | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | non-polymer | 600.7 | 1 | Chemie (AG7) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 236 | Chemie (HOH) |
Sequence modifications
A: 22 - 202 (UniProt: E7E815)
| PDB | External Database | Details |
|---|---|---|
| Met 21 | - | expression tag |
| Ile 36 | Val 15 | conflict |
| Ile 51 | Val 30 | conflict |
| Asp 90 | Asn 69 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20092.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 792.8 | |
| All* | Total formula weight | 20884.9 |
