6HU1
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10
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 | |
| 2 | DA, E, Q, QA (C, A, B, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | EA, F, FA, G, R... (C, A, B, D) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | GA, H, T, TA (C, A, B, D) | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide | non-polymer | 359.6 | 4 | Chemie (GT2) | |||
| 5 | AA, AB, BA, BB, HA... (B, D, C, A) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 29 | Chemie (DMF) | |||
| 6 | CA, CB, DB, NA, OA... (B, D, C, A) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 7 | EB, FB, GB, HB (A, B, C, D) | water | water | 18.0 | 787 | 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 | 52 |
| Total formula weight | 4777.2 | |
| All* | Total formula weight | 207109.3 |
