6HU3
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate 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 | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) | Schistosoma mansoni | |
| 2 | AA, E, KA, P (C, A, D, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | BA, CA, F, G, LA... (C, A, D, B) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | DA, H, NA, S (C, A, D, B) | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide | non-polymer | 348.7 | 4 | Chemie (GRZ) | |||
| 5 | EA, FA, GA, HA, I... (C, A, D, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 21 | Chemie (DMF) | |||
| 6 | JA, N, O, TA, Z (C, A, D, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 7 | UA, VA, WA, XA (A, B, C, D) | water | water | 18.0 | 850 | 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 | 42 |
| Total formula weight | 3964.7 | |
| All* | Total formula weight | 206296.8 |
