Structure of PDB 7pdq Chain A Binding Site BS02

Receptor Information
>7pdq Chain A (length=208) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMPVEKILEAELADPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVI
LLRAGWNELLIASFSHESIAVKDGILLATGLHVHRNSAHSAGVGAIFDRV
LTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYAS
LEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKQLEHLFFFKLIGDTPIDT
FLMEMLEA
Ligand information
Ligand IDLG2
InChIInChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
InChIKeySLXTWXQUEZSSTJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C
CACTVS 3.341Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(O)=O)C(C)(C)CCC2(C)C
ACDLabs 10.04O=C(O)c1cnc(cc1)C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4
FormulaC24 H29 N O2
Name6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID
ChEMBLCHEMBL288436
DrugBankDB01941
ZINCZINC000003873121
PDB chain7pdq Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pdq Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		I273 A277 L314 F318 L331 A332 Q437 F444
Binding residue
(residue number reindexed from 1)		I19 A23 L60 F64 L77 A78 Q183 F190
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:7pdq, PDBe:7pdq, PDBj:7pdq
PDBsum7pdq
PubMed35900852
UniProtP28700|RXRA_MOUSE Retinoic acid receptor RXR-alpha (Gene Name=Rxra)

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