Structure of PDB 6tsg Chain A Binding Site BS01

Receptor Information
>6tsg 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]
QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDM
NSLMMGEDEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTL
LKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPK
FEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQAL
ELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHP
LLQEIYKD
Ligand information
Ligand IDT4A
InChIInChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
InChIKeyPPJYSSNKSXAVDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
CACTVS 3.341OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
ACDLabs 10.04Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O
FormulaC14 H8 I4 O4
Name3,3',5,5'-TETRAIODOTHYROACETIC ACID
ChEMBLCHEMBL549748
DrugBankDB01751
ZINCZINC000008681598
PDB chain6tsg 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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PDB6tsg l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
Resolution2.98 Å
Binding residue
(original residue number in PDB)		C285 R288 Y327 L330 I341 S342 E343 M364 K367 H449
Binding residue
(residue number reindexed from 1)		C68 R71 Y110 L113 I124 S125 E126 M147 K150 H232
Annotation score1
Binding affinityBindingDB: Kd=110nM,EC50=100nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:6tsg, PDBe:6tsg, PDBj:6tsg
PDBsum6tsg
PubMed32356658
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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