4CBT
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
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 (A, B, C) | HISTONE DEACETYLASE 4 | polymer | 395 | 42797.6 | 3 | UniProt (P56524) Pfam (PF00850) | HOMO SAPIENS (HUMAN) | HD4, HDAC4 |
| 2 | D, G, J (A, B, C) | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide | non-polymer | 349.4 | 3 | Chemie (9F4) | |||
| 3 | E, F, H, I, K... (A, B, C) | ZINC ION | non-polymer | 65.4 | 6 | Chemie (ZN) | |||
| 4 | M, N, O (A, B, C) | water | water | 18.0 | 10 | Chemie (HOH) |
Sequence modifications
A, B, C: 648 - 1033 (UniProt: P56524)
| PDB | External Database | Details |
|---|---|---|
| Met 645 | - | expression tag |
| Gly 646 | - | expression tag |
| Ser 647 | - | expression tag |
| His 1034 | - | expression tag |
| His 1035 | - | expression tag |
| His 1036 | - | expression tag |
| His 1037 | - | expression tag |
| His 1038 | - | expression tag |
| His 1039 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 128392.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1440.5 | |
| All* | Total formula weight | 129833.4 |
