4G20

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Summary for 4G20

Related4G1D 4G1Y 4G1Z
DescriptorVitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, ... (4 entities in total)
Functional Keywordsvdr, transcription regulation, nuclear receptor, alpha helical sandwich, ligand, dna, phosphorylation, nucleus, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceDanio rerio (leopard danio,zebra danio,zebra fish)
More
Cellular locationNucleus Q9PTN2
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight36153.26
Authors
Ciesielski, F.,Sato, Y.,Moras, D.,Rochel, N. (deposition date: 2012-07-11, release date: 2012-09-26, Last modification date: 2012-11-21)
Primary citation
Ciesielski, F.,Sato, Y.,Chebaro, Y.,Moras, D.,Dejaegere, A.,Rochel, N.
Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55:8440-8449, 2012
PubMed: 22957834 (PDB entries with the same primary citation)
DOI: 10.1021/jm300858s
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.288210.4%1.8%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution