5AWJ

Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue

Summary for 5AWJ

• Entry DOI: 10.2210/pdb5awj/pdb
• Related: 5AWK
• Descriptor: Vitamin D3 receptor,Vitamin D3 receptor, Mediator of RNA polymerase II transcription subunit 1, (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, ... (4 entities in total)
• Functional Keywords: transcription, vitamin d3, vdre, rxr, co-factors
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 2
• Total formula weight: 32624.65

Authors

Anami, Y.,Itoh, T.,Inaba, Y.,Nakabayashi, M.,Ikura, T.,Ito, N.,Yamamoto, K. (deposition date: 2015-07-04, release date: 2015-11-18, Last modification date: 2024-03-20)

• Primary citation: Anami, Y.,Sakamaki, Y.,Itoh, T.,Inaba, Y.,Nakabayashi, M.,Ikura, T.,Ito, N.,Yamamoto, K.; Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.; Bioorg.Med.Chem., 23:7274-7281, 2015; PubMed: 26515040; DOI: 10.1016/j.bmc.2015.10.026

Experimental method

X-RAY DIFFRACTION (2.2 Å)