3O1D

Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.

Summary for 3O1D

Related2HC4 2HCD 3O1E
DescriptorVitamin D3 receptor A, Nuclear receptor coactivator 2, (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, ... (4 entities in total)
Functional Keywordstranscription factor, vitamin d, nucleus, transcription-transcription activator complex, transcription/transcription activator
Biological sourceDanio rerio (leopard danio,zebra danio,zebra fish)
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Cellular locationNucleus Q9PTN2 Q15596
Total number of polymer chains2
Total molecular weight36235.21
Authors
Huet, T.,Moras, D.,Rochel, N. (deposition date: 2010-07-21, release date: 2011-07-06, Last modification date: 2012-03-21)
Primary citation
Huet, T.,Maehr, H.,Lee, H.J.,Uskokovic, M.R.,Suh, N.,Moras, D.,Rochel, N.
Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2:424-429, 2011
PubMed: 22180837 (PDB entries with the same primary citation)
DOI: 10.1039/C1MD00059D
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4007 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.271100.4%7.0%2.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution