7P2S
Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Histone deacetylase 8 | polymer | 440 | 49834.2 | 1 | UniProt (A5H660) | Schistosoma mansoni (Blood fluke) | |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D (A) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 4 | E (A) | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide | non-polymer | 424.5 | 1 | Chemie (4UI) | |||
| 5 | F (A) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A: 1 - 440 (UniProt: A5H660)
| PDB | External Database | Details |
|---|---|---|
| Lys 395 | Glu 395 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49834.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 568.1 | |
| All* | Total formula weight | 50402.3 |
