6HSH
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
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 | Histone deacetylase | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) In PDB | Schistosoma mansoni (Blood fluke) | |
2 | C, A, B, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
3 | C, A, B, D | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
4 | C, A, B, D | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide | non-polymer | 394.5 | 6 | Chemie (GOK) | |||
5 | D, C, A, B | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 27 | Chemie (DMF) | |||
6 | B, D, A, C | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
7 | water | water | 18.0 | 1102 | 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 | 53 |
Total formula weight | 5651.5 | |
All* | Total formula weight | 207983.6 |