Structure of PDB 7nke Chain C Binding Site BS02

Receptor Information
>7nke Chain C (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDMPVERILEAELAVEPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPL
DDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGA
IFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALRE
KVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGD
TPIDTFLMEMLEA
Ligand information
Ligand IDUGW
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyICKWICRCANNIBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
OpenEye OEToolkits 2.0.7CC(C)(C)c1ccc(c(c1)C(C)(C)C)O
FormulaC14 H22 O
Name2,4-di~{tert}-butylphenol
ChEMBLCHEMBL29873
DrugBank
ZINCZINC000001081075
PDB chain7nke Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nke 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I268 I310 F313 C432 L436
Binding residue
(residue number reindexed from 1)		I24 I66 F69 C188 L192
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003707 nuclear steroid receptor activity
GO:0008270 zinc ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nke, PDBe:7nke, PDBj:7nke
PDBsum7nke
PubMed36750942
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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