3QZR
Human enterovirus 71 3C protease mutant E71A 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, B (A, B) | 3C protein | polymer | 187 | 20544.6 | 2 | UniProt (E7E815) | Human enterovirus 71 | 3C protease |
| 2 | C, E (A, B) | 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 | 2 | Chemie (AG7) | |||
| 3 | D, F (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 393 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 183 (UniProt: E7E815)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
| Met 0 | - | expression tag |
| Ala 71 | Glu 71 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 41089.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1325.5 | |
| All* | Total formula weight | 42414.6 |
