5XPL

Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3

Summary for 5XPL

Entry DOI	10.2210/pdb5xpl/pdb
Descriptor	Vitamin D3 receptor, Nuclear receptor coactivator 2, (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, ... (4 entities in total)
Functional Keywords	transcription, vitamin d3, vdr, vdre, rxr, co-factors, src2-3, antagonist
Biological source	Rattus norvegicus (Rat) More
Total number of polymer chains	2
Total formula weight	32723.65
Authors	Kato, A.,Itoh, T.,Yamamoto, K. (deposition date: 2017-06-03, release date: 2018-06-06, Last modification date: 2024-03-27)
Primary citation	Kato, A.,Yamao, M.,Hashihara, Y.,Ishida, H.,Itoh, T.,Yamamoto, K. Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60:8394-8406, 2017 Cited by PubMed: 28954197 DOI: 10.1021/acs.jmedchem.7b00819 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation