4G21

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

Summary for 4G21

Related4G1D 4G1Y 4G1Z 4G20
DescriptorVitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-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)
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Cellular locationNucleus Q9PTN2 Q15788
Total number of polymer chains2
Total molecular weight36169.26
Authors
Ciesielski, F.,Sato, Y.,Moras, D.,Rochel, N. (deposition date: 2012-07-11, release date: 2012-09-26, Last modification date: 2016-05-25)
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 outliers0.255241.2%3.3%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution