4FHH

Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition

Summary for 4FHH

Related4FHI
DescriptorVitamin D3 receptor A, Nuclear receptor coactivator 2, N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, ... (4 entities in total)
Functional Keywordsligand binding domain, apha helical sandwich, alpha helical sandwich, transcription factor, adn coregulators, phosphorylation and hdac inhibitor, nucleus, transcription-protein binding-inhibitor complex, transcription/protein binding/inhibitor
Biological sourceDanio rerio (leopard danio,zebra danio,zebra fish)
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Cellular locationNucleus Q9PTN2 Q15596
Total number of polymer chains2
Total molecular weight35954.01
Authors
Fischer, J.,Wang, T.T.,Kaldre, D.,Rochel, N.,Moras, D.,White, J.H.,Gleason, J.L. (deposition date: 2012-06-06, release date: 2012-09-19)
Primary citation
Fischer, J.,Wang, T.T.,Kaldre, D.,Rochel, N.,Moras, D.,White, J.H.,Gleason, J.L.
Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19:963-971, 2012
PubMed: 22921063 (PDB entries with the same primary citation)
DOI: 10.1016/j.chembiol.2012.05.024
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.33 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.267160.4%4.0%3.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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