Structure of PDB 7uw2 Chain A Binding Site BS02

Receptor Information
>7uw2 Chain A (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMPVERILEAELAVEDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQ
VILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFD
RVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVY
ASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPI
DTFLMEMLEA
Ligand information
Ligand IDOI2
InChIInChI=1S/C25H38O2/c1-7-21(6)23-13-9-12-22(24(23)15-14-18(2)3)16-19(4)10-8-11-20(5)17-25(26)27/h8,10-11,16-18,21H,7,9,12-15H2,1-6H3,(H,26,27)/b11-8+,19-10-,20-17+,22-16+/t21-/m0/s1
InChIKeyUSDOYFQDHIMGBQ-CKASWENUSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CCC(C)C=1CCC\C(=C/C(/C)=C\C=C\C(\C)=C\C(=O)O)C=1CCC(C)C
OpenEye OEToolkits 2.0.7CC[C@H](C)C1=C(/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC1)CCC(C)C
CACTVS 3.385CC[C@H](C)C1=C(CCC(C)C)C(/CCC1)=C/C(C)=C\C=C\C(C)=C\C(O)=O
CACTVS 3.385CC[CH](C)C1=C(CCC(C)C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O
OpenEye OEToolkits 2.0.7CCC(C)C1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(C)C
FormulaC25 H38 O2
Name(2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid
ChEMBL
DrugBank
ZINC
PDB chain7uw2 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7uw2 Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		V265 I268 A271 A272 Q275 F313 R316 L326 A327 H435
Binding residue
(residue number reindexed from 1)		V18 I21 A24 A25 Q28 F66 R69 L79 A80 H188
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:7uw2, PDBe:7uw2, PDBj:7uw2
PDBsum7uw2
PubMed36318154
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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