5A2S: Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors

PDB ID: 5A2SDownload
MMDB ID: 136373
PDB Deposition Date: 2015/5/22
Updated in MMDB: 2016/02
Experimental Method:
x-ray diffraction
Resolution: 2.65  Å
Source Organism:
Similar Structures:
Biological Unit for 5A2S: monomeric; determined by author and by software (PISA)
Molecular Components in 5A2S
Label Count Molecule
Protein (1 molecule)
1
Histone Deacetylase 4
(Gene symbol: HDAC4)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
(1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide(1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
2
2
ZINC IONZINC ION
3
1
SODIUM IONSODIUM ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303