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 | Histone deacetylase | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) In PDB | Schistosoma mansoni | |
2 | A, C, D, B | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
3 | A, C, D, B | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
4 | A, C, D, B | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide | non-polymer | 355.2 | 4 | Chemie (T86) | |||
5 | B, A, C, D | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 28 | Chemie (DMF) | |||
6 | C, B, A, D | GLYCEROL | non-polymer | 92.1 | 27 | Chemie (GOL) | |||
7 | 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 |