7DNC
Crystal structure of EV71 3C proteinase in complex with a novel inhibitor
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 | 183 | 20134.1 | 1 | UniProt (B8YLW0) Pfam (PF00548) In PDB | Human enterovirus 71 (EV71) | Protein 3B,Viral protein genome-linked |
| 2 | A | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | non-polymer | 452.5 | 1 | Chemie (FHR) | |||
| 3 | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A: 1 - 183 (UniProt: B8YLW0)
| PDB | External Database | Details |
|---|---|---|
| Pro 43 | Arg 43 | conflict |
| Val 49 | Ile 49 | conflict |
| Ser 55 | Asn 55 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20134.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 452.5 | |
| All* | Total formula weight | 20586.6 |
