Structure of PDB 3po9 Chain A Binding Site BS01

Receptor Information

>3po9 Chain A (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMN
SLMMGEDKIKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQV
TLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFME
PKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQ
ALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSL
HPLLQEIYKDL

Ligand information

Ligand ID

XPT

InChI

InChI=1S/C9H21ClS/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3

InChIKey

OKMMYIYQBZXYLN-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370	CCC[S](Cl)(CCC)CCC
ACDLabs 12.01	ClS(CCC)(CCC)CCC
OpenEye OEToolkits 1.7.0	CCCS(CCC)(CCC)Cl

Formula

C9 H21 Cl S

Name

1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane

PDB chain

3po9 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	3po9 Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
Resolution	2.35 Å
Binding residue (original residue number in PDB)	F282 C285 F363 H449
Binding residue (residue number reindexed from 1)	F67 C70 F148 H234
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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Molecular Function

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Cellular Component

External links

PDB	RCSB:3po9, PDBe:3po9, PDBj:3po9
PDBsum	3po9
PubMed
UniProt	P37231\|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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