4CQF
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
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 8 | polymer | 446 | 50444.9 | 4 | UniProt (A5H660) Pfam (PF00850) | SCHISTOSOMA MANSONI | |
| 2 | E, EA, K, T (A, D, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, FA, G, GA, L... (A, D, B, C) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | H, HA, N, W (A, D, B, C) | 6-(2-Mercaptoacetylamino)-N-phenylhexanamide | non-polymer | 280.4 | 4 | Chemie (9Z8) | |||
| 5 | AA, I, IA, J, JA... (C, A, D, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 11 | Chemie (DMF) | |||
| 6 | BA, CA, DA, KA, LA... (C, D, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 7 | MA, NA, OA, PA (A, B, C, D) | water | water | 18.0 | 451 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 440 (UniProt: A5H660)
| PDB | External Database | Details |
|---|---|---|
| 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 | 201779.5 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 3144.7 | |
| All* | Total formula weight | 204924.2 |
