5XPM

Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3

Summary for 5XPM

• Entry DOI: 10.2210/pdb5xpm/pdb
• Descriptor: Vitamin D3 receptor, Mediator of RNA polymerase II transcription subunit 1, (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, ... (4 entities in total)
• Functional Keywords: transcription, vitamin d3, vdr, vdre, rxr, co-factors
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 2
• Total formula weight: 32716.75

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; PubMed: 28954197; DOI: 10.1021/acs.jmedchem.7b00819

Experimental method

X-RAY DIFFRACTION (2.2 Å)