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 (A, B, C, D) | Histone deacetylase | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) | Schistosoma mansoni (Blood fluke) | |
| 2 | DA, E, P, TA (C, A, B, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | EA, F, FA, G, Q... (C, A, B, D) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | GA, H, HA, S, T... (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 | AB, BB, CA, CB, I... (D, C, A, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 27 | Chemie (DMF) | |||
| 6 | AA, BA, DB, EB, M... (B, D, A, C) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 7 | FB, GB, HB, IB (A, B, C, D) | 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 |
