Structure of PDB 2vv3 Chain A Binding Site BS01

Receptor Information
>2vv3 Chain A (length=257) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTDKSPFVIYDMNSLMM
GEDKIKKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLL
KYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKF
EFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALE
LQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPL
LQEIYKD
Ligand information
Ligand ID4R8
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+
InChIKeyMTWLPOVQRMKOLI-IIFHDYRKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\CC\C=C\CC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(=O)O
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O
ACDLabs 10.04O=C(C/C=C/CC\C=C/C\C=C/C\C=C/C\C=C/CC)CCC(=O)O
FormulaC22 H32 O3
Name(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid;
4-OXODOCOSAHEXAENOIC ACID
ChEMBL
DrugBank
ZINCZINC000038994179
PDB chain2vv3 Chain A Residue 1476 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vv3 Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		G284 C285 R288 S289 H323 Y327 L340 I341 S342 M364 H449 Y473
Binding residue
(residue number reindexed from 1)		G66 C67 R70 S71 H105 Y109 L122 I123 S124 M146 H231 Y255
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:2vv3, PDBe:2vv3, PDBj:2vv3
PDBsum2vv3
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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