Structure of PDB 3sz1 Chain B Binding Site BS02

Receptor Information
>3sz1 Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKSPFVIYDMNSLMMGED
KIKFKHITKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVT
LLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEP
KFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQA
LELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDLHPL
LQEIYKDL
Ligand information
Ligand IDMYR
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCCCCCC
FormulaC14 H28 O2
NameMYRISTIC ACID
ChEMBLCHEMBL111077
DrugBankDB08231
ZINCZINC000001530417
PDB chain3sz1 Chain B Residue 478 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sz1 Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R288 S289 L333 F363 M364
Binding residue
(residue number reindexed from 1)		R72 S73 L117 F147 M148
Annotation score4
Binding affinityBindingDB: IC50=21000nM
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:3sz1, PDBe:3sz1, PDBj:3sz1
PDBsum3sz1
PubMed22391103
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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