6HU2
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11
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, LA, N, Z (A, D, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | AA, BA, F, G, MA... (C, A, D, B) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | CA, H, OA, Q (C, A, D, B) | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide | non-polymer | 256.3 | 4 | Chemie (T34) | |||
| 5 | DA, EA, FA, GA, HA... (C, A, D, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 19 | Chemie (DMF) | |||
| 6 | KA, M, RA, X, Y (C, A, D, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 7 | SA, TA, UA, VA (A, B, C, D) | water | water | 18.0 | 794 | 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 | 40 |
| Total formula weight | 3448.9 | |
| All* | Total formula weight | 205781.0 |
