Structure of PDB 3adw Chain A Binding Site BS02

Receptor Information
>3adw Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDM
NSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKS
IPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREF
LKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLN
VKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQL
LQVIKKTETDMSLHPLLQEIYKDL
Ligand information
Ligand IDOCR
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
InChIKeyYGJTUEISKATQSM-KIFLIQHDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O
CACTVS 3.341CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O
ACDLabs 10.04O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
CACTVS 3.341CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O
FormulaC20 H30 O3
Name(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid;
15-oxo-eicosatetraenoic acid
ChEMBL
DrugBank
ZINCZINC000039031959
PDB chain3adw Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3adw The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Resolution2.07 Å
Binding residue
(original residue number in PDB)		L228 F264 I267 T268 C285 R288 M329 L330 L333 M364
Binding residue
(residue number reindexed from 1)		L26 F62 I65 T66 C83 R86 M127 L128 L131 M162
Annotation score4
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:3adw, PDBe:3adw, PDBj:3adw
PDBsum3adw
PubMed20717101
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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