7HIS
Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364)
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 (A, B, C, D) | Non-structural protein 3 | polymer | 163 | 17819.2 | 4 | UniProt (Q8JUX6) Pfam (PF01661) | Chikungunya virus | nsP3 |
| 2 | AA, DA, E, G, H... (D, A, B, C) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 13 | Chemie (DMS) | |||
| 3 | F, P, Q (A, B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 3 | Chemie (TRS) | |||
| 4 | BA, I, J, N, S... (D, A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 5 | CA, K, O (D, A, B) | N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide | non-polymer | 222.2 | 3 | Chemie (A1BCN) | |||
| 6 | EA, FA, GA, HA (A, B, C, D) | water | water | 18.0 | 877 | 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 | 26 |
| Total formula weight | 2297.0 | |
| All* | Total formula weight | 73573.9 |
