Brand  (β version)

PDB ID: 4M8E

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Ligands
Code Name Style Show Link
29V (3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid PoSSuM
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Structure summary

Code : 4M8E   PDBj   RCSB PDB   PDBe
Header : TRANSCRIPTION
Title : CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1
Release Data : 2014-01-22
Compound :
mol_id molecule chains synonym
1 Retinoic acid receptor RXR-alpha A Nuclear receptor subfamily 2 group B member 1, Retinoid X receptor alpha
fragment: HRXRALPHA-LBD, UNP RESIDUES 228-458
mol_id molecule chains synonym
2 Nuclear receptor coactivator 2 B NCoA-2, Class E basic helix-loop-helix protein 75, bHLHe75, Transcriptional intermediary factor 2, hTIF2
fragment: GRIP-1, UNP RESIDUES 686-696
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
strain: P19793
gene: NR2B1, RXRA
expression_system_vector_type: BL21(DE3)
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
synthetic: yes
other_details: GRIP-1 from AnaSpec Inc
Authors : Xia, G., Smith, C.D., Muccio, D.D.
Keywords : ANTIPARALLEL SANDWICH, LIGAND BINDING, COACTIVATOR BINDING, DIMERIZATION, ACTIVATION FUNCTION, TRANSCRIPTION, nuclear receptors, ligand binding domian, ligand binding pocket, coactivator binding site, cancer, 4-Methyl 9cUAB30 ((2E, 4E, 6Z, 8E)-8-[(4'S)methyl-3', 4'-dihydro-1'(2'H)-naphthalen-1'-ylidene]-3, 7-dimethyl-2, 4, 6-octatrienoic Acid)
Exp. method : X-RAY DIFFRACTION ( 2.4000 Å )
Citation :

Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.

Desphande, A.,Xia, G.,Boerma, L.J.  et al.
(2014)  Bioorg.Med.Chem.  22 : 178 - 185

PubMed: 24359708
DOI: 10.1016/j.bmc.2013.11.039

Reaction

Chain : A
UniProt : P19793 (RXRA_HUMAN)
Reaction : -
Chain : B
UniProt : Q15596 (NCOA2_HUMAN)
Reaction : -