3SFF
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
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 | 378 | 41889.6 | 1 | UniProt (Q9BY41) Pfam (PF00850) | Homo sapiens (human) | HDAC8, HD8 |
| 2 | B (A) | (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one | non-polymer | 407.8 | 1 | Chemie (0DI) | |||
| 3 | C, D (A) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 4 | E (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | F (A) | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence modifications
A: 1 - 377 (UniProt: Q9BY41)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41889.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 551.4 | |
| All* | Total formula weight | 42441.0 |
