6GX3
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1
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) | Histone deacetylase | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) | Schistosoma mansoni (Blood fluke) | |
| 2 | BA, E, L, T (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | CA, DA, F, G, M... (D, A, B, C) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | EA, FA, H, I, O... (D, A, B, C) | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide | non-polymer | 227.7 | 8 | Chemie (FF2) | |||
| 5 | J, K, Q, R, Y... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 6 | AA, S (C, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 2 | Chemie (DMF) | |||
| 7 | GA, HA, IA, JA (A, B, C, D) | water | water | 18.0 | 432 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 440 (UniProt: A5H660)
| PDB | External Database | Details |
|---|---|---|
| His 0 | - | expression tag |
| Gly 441 | - | expression tag |
| Ser 442 | - | expression tag |
| Leu 443 | - | expression tag |
| Val 444 | - | expression tag |
| Pro 445 | - | expression tag |
| Arg 446 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 202332.1 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 3094.5 | |
| All* | Total formula weight | 205426.6 |
