Structure of PDB 6lb4 Chain A Binding Site BS02

Receptor Information
>6lb4 Chain A (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDMPVERILEAELAVEPYVEADPVTNICQAADKQLFTLVEWAKRIPHFS
ELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSA
GVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVE
ALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFK
LIGDTPIDTFLMEMLEAP
Ligand information
Ligand IDE8L
InChIInChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
InChIKeyVVNCNFPVMMKHFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O
CACTVS 3.385CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
FormulaC20 H26 N2 O4
Name6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6lb4 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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PDB6lb4 Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I268 A271 A272 Q275 L309 F313 R316 L326 A327 C432
Binding residue
(residue number reindexed from 1)		I28 A31 A32 Q35 L69 F73 R76 L86 A87 C192
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:6lb4, PDBe:6lb4, PDBj:6lb4
PDBsum6lb4
PubMed
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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