5HXF
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 | 3C protease | polymer | 184 | 20293.3 | 1 | UniProt (A0A0M3PZC0) Pfam (PF00548) UniProt (by SIFTS) (B8YLW0) In PDB | Enterovirus A71 (EV71) | |
| 2 | 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 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 236 | Chemie (HOH) |
Sequence modifications
A: 2 - 184 (UniProt: A0A0M3PZC0)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Asp 70 | Asn 1617 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20293.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 792.8 | |
| All* | Total formula weight | 21086.1 |
