5NKY

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

Summary for 5NKY

DescriptorVitamin D3 receptor A, SRC1, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ... (4 entities in total)
Functional Keywordsgene regulation
Biological sourceDanio rerio (Zebrafish)
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Cellular locationNucleus Q9PTN2
Total number of polymer chains2
Total molecular weight36281.39
Authors
Rochel, N.,Belorusova, A.Y. (deposition date: 2017-04-03, release date: 2017-05-24, Last modification date: 2017-09-06)
Primary citation
Belorusova, A.Y.,Martinez, A.,Gandara, Z.,Gomez, G.,Fall, Y.,Rochel, N.
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134:86-96, 2017
PubMed: 28399453 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2017.03.081
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.096 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.246200.5%15.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution