Structure of PDB 3e94 Chain A Binding Site BS02

Receptor Information

>3e94 Chain A (length=211) 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
DTFLMEMLEAP

Ligand information

Ligand ID

TBY

InChI

InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;

InChIKey

DBGVGMSCBYYSLD-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCC[Sn](CCCC)CCCC
ACDLabs 10.04	[Sn](CCCC)(CCCC)CCCC

Formula

C12 H27 Sn

Name

tributylstannanyl;
tributyltin

PDB chain

3e94 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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Structure summary

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PDB	3e94 Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Resolution	1.9 Å
Binding residue (original residue number in PDB)	N306 V342 C432 H435 L436
Binding residue (residue number reindexed from 1)	N59 V95 C185 H188 L189
Annotation score	1

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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Cellular Component

External links

PDB	RCSB:3e94, PDBe:3e94, PDBj:3e94
PDBsum	3e94
PubMed	19270714
UniProt	P19793\|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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