Structure of PDB 5mj5 Chain A Binding Site BS02

Receptor Information
>5mj5 Chain A (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMPVERILEAELAVEPPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPL
DDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGA
IFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALRE
KVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGD
TPIDTFLMEMLEA
Ligand information
Ligand ID7O0
InChIInChI=1S/C22H18O3/c23-21-11-9-17(10-12-22(24)25)15-20(21)19-8-4-7-18(14-19)13-16-5-2-1-3-6-16/h1-12,14-15,23H,13H2,(H,24,25)/b12-10+
InChIKeyWOWLBKWVURQFNH-ZRDIBKRKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C=Cc1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)C=CC(=O)O
CACTVS 3.385OC(=O)/C=C/c1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O
FormulaC22 H18 O3
Name(~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain5mj5 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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PDB5mj5 Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I268 A271 N306 F313 R316 I324 L326 A327 V332 V342 C432
Binding residue
(residue number reindexed from 1)		I24 A27 N62 F69 R72 I80 L82 A83 V88 V98 C188
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:5mj5, PDBe:5mj5, PDBj:5mj5
PDBsum5mj5
PubMed28691794
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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