7H6O
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300)
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, C, D | Non-structural protein 3 | polymer | 163 | 17819.2 | 4 | UniProt (Q8JUX6) Pfam (PF01661) In PDB | Chikungunya virus | nsP3 |
| 2 | D, A, B, C | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 15 | Chemie (DMS) | Chikungunya Virus | ||
| 3 | D, A, B, C | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | Chikungunya Virus | ||
| 4 | A | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide | non-polymer | 225.3 | 1 | Chemie (YX6) | Chikungunya Virus | ||
| 5 | C | N-[(3S)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide | non-polymer | 225.3 | 1 | Chemie (A1AP2) | Chikungunya Virus | ||
| 6 | water | water | 18.0 | 673 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 160 (UniProt: Q8JUX6)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Met 0 | - | expression tag |
| Thr 77 | Ser 1410 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 71276.9 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 1906.2 | |
| All* | Total formula weight | 73183.0 |
