7H70
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1400796579 (CHIKV_MacB-x0436)
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 | 14 | Chemie (DMS) | Chikungunya Virus | ||
3 | A, D | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | Chikungunya Virus | ||
4 | D, A, B, C | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | Chikungunya Virus | ||
5 | A, C | (3S)-3-(cyclohexylmethyl)piperazin-2-one | non-polymer | 196.3 | 2 | Chemie (A1AP4) | Chikungunya Virus | ||
6 | water | water | 18.0 | 662 | 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 | 1978.9 | |
All* | Total formula weight | 73255.8 |