7HIB
Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183)
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 | E, P (A, C) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | F, G, H, J, M... (A, B, C, D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 10 | Chemie (DMS) | |||
| 4 | I, O, T (A, B, D) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 3 | Chemie (TRS) | |||
| 5 | K, N, S, X (A, B, C, D) | N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide | non-polymer | 364.4 | 4 | Chemie (A1AK0) | |||
| 6 | L (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | AA, BA, Y, Z (C, D, A, B) | water | water | 18.0 | 679 | 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 | 20 |
| Total formula weight | 2768.2 | |
| All* | Total formula weight | 74045.1 |
