6HU0
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9
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 | E, KA, KB, T (A, C, D, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, G, LA, LB, MA... (A, C, D, B) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | H, NA, NB, W (A, C, D, B) | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide | non-polymer | 355.2 | 4 | Chemie (T86) | |||
| 5 | AA, BA, CA, DA, EA... (B, A, C, D) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 28 | Chemie (DMF) | |||
| 6 | AB, BB, CB, DB, EB... (C, B, A, D) | GLYCEROL | non-polymer | 92.1 | 27 | Chemie (GOL) | |||
| 7 | AC, XB, YB, ZB (D, A, B, C) | water | water | 18.0 | 1596 | 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 | 71 |
| Total formula weight | 6528.3 | |
| All* | Total formula weight | 208860.4 |
