Structure of PDB 3kwy Chain A Binding Site BS02

Receptor Information
>3kwy 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]
DMPVERILEAELAVEPDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDD
QVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIF
DRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKV
YASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDID
TFLMEMLEAP
Ligand information
Ligand IDT9T
InChIInChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;
InChIKeyNFHRNKANAAGQOH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3
FormulaC18 H15 Sn
Nametriphenylstannanyl
ChEMBL
DrugBank
ZINCZINC000169746616
PDB chain3kwy Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kwy A structural view of nuclear hormone receptor: endocrine disruptor interactions.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I268 I310 F313 F346 V349 C432 H435
Binding residue
(residue number reindexed from 1)		I22 I64 F67 F100 V103 C186 H189
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:3kwy, PDBe:3kwy, PDBj:3kwy
PDBsum3kwy
PubMed20063036
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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