Structure of PDB 3wj5 Chain A Binding Site BS01

Receptor Information

>3wj5 Chain A (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSESADLRALAKHLYDSYIKSFPLTKAKARAILTGKKSPFVIYDMNSLMM
GEDKISKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLL
KYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKF
EFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALE
LQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPL
LQEIYKDL

Ligand information

Ligand ID

T9T

InChI

InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;

InChIKey

NFHRNKANAAGQOH-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.7.0	c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3

Formula

C18 H15 Sn

Name

triphenylstannanyl

PDB chain

3wj5 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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Structure summary

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PDB	3wj5 Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
Resolution	1.89 Å
Binding residue (original residue number in PDB)	F282 C285 Q286 Y327 F363 M364 H449 L453 Y473
Binding residue (residue number reindexed from 1)	F64 C67 Q68 Y109 F145 M146 H231 L235 Y255
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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Cellular Component

External links

PDB	RCSB:3wj5, PDBe:3wj5, PDBj:3wj5
PDBsum	3wj5
PubMed
UniProt	P37231\|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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