Structure of PDB 3wj4 Chain B Binding Site BS01

Receptor Information

>3wj4 Chain B (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GPLGSESADLRALAKHLYDSYIKSFPLTKAKARAILTGKKSPFVIYDMNS
LMMGEDKIKFKHKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLN
DQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGD
FMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDN
LLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETD
HPLLQEIYKD

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

3wj4 Chain B Residue 501 [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	3wj4 Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
Resolution	1.95 Å
Binding residue (original residue number in PDB)	C285 Y327 V339 L353 F363 M364 H449
Binding residue (residue number reindexed from 1)	C73 Y115 V127 L141 F151 M152 H237
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0003677	DNA binding
GO:0004879	nuclear receptor activity

	Biological Process
GO:0006355	regulation of DNA-templated transcription

	Cellular Component
GO:0005634	nucleus

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External links

PDB	RCSB:3wj4, PDBe:3wj4, PDBj:3wj4
PDBsum	3wj4
PubMed
UniProt	P37231\|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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