Structure of PDB 5mku Chain A Binding Site BS02

Receptor Information
>5mku Chain A (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMPVERILEAELAVDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQV
ILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDR
VLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYA
SLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPID
TFLMEMLE
Ligand information
Ligand IDJ57
InChIInChI=1S/C18H18O3/c1-12(2)14-4-3-5-15(11-14)16-10-13(6-8-17(16)19)7-9-18(20)21/h3-12,19H,1-2H3,(H,20,21)/b9-7+
InChIKeyCIHKFLQGYXDCJN-VQHVLOKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)c1cccc(c1)c2cc(ccc2O)C=CC(=O)O
CACTVS 3.385CC(C)c1cccc(c1)c2cc(C=CC(O)=O)ccc2O
OpenEye OEToolkits 2.0.6CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O
CACTVS 3.385CC(C)c1cccc(c1)c2cc(\C=C\C(O)=O)ccc2O
FormulaC18 H18 O3
Name(~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid
ChEMBLCHEMBL5266566
DrugBank
ZINC
PDB chain5mku 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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PDB5mku Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		I268 A272 N306 F313 R316 L326 A327 C432 L436
Binding residue
(residue number reindexed from 1)		I20 A24 N58 F65 R68 L78 A79 C184 L188
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:5mku, PDBe:5mku, PDBj:5mku
PDBsum5mku
PubMed28691794
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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