Structure of PDB 2vst Chain A Binding Site BS01

Receptor Information
>2vst Chain A (length=260) 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
HPLLQEIYKD
Ligand information
Ligand ID243
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
InChIKeyHNICUWMFWZBIFP-IRQZEAMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC[CH](O)C=CC=CCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O
CACTVS 3.341CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCC/C=C\C=C\C(O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(C=CC=CCCCCCCCC(=O)O)O
FormulaC18 H32 O3
Name(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
ChEMBLCHEMBL451721
DrugBankDB06926
ZINCZINC000004655397
PDB chain2vst Chain A Residue 1477 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vst Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C285 R288 L330 V339 I341 S342
Binding residue
(residue number reindexed from 1)		C70 R73 L115 V124 I126 S127
Annotation score1
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:2vst, PDBe:2vst, PDBj:2vst
PDBsum2vst
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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