Structure of PDB 2vv4 Chain A Binding Site BS01

Receptor Information
>2vv4 Chain A (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPESADLRALAKHLYDSYIKSFPLTKAKARAILTGTDKSPFVIYDMNSLM
MGEDEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYG
VHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFA
VKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQL
KLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQE
IYKD
Ligand information
Ligand ID6OC
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1
InChIKeyMLHUENSFQCPBQH-ZBKJIUGYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O
CACTVS 3.341CCCCC\C=C/C/C=C\[C@H](O)CC(=O)CCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCC(=O)CC(O)\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CC(CC(=O)CCCCC(=O)O)O
CACTVS 3.341CCCCCC=CCC=C[CH](O)CC(=O)CCCCC(O)=O
FormulaC18 H30 O4
Name(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
ChEMBL
DrugBankDB07209
ZINCZINC000053682988
PDB chain2vv4 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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PDB2vv4 Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C285 R288 S289 H323 Y327 I341 S342 M364 H449 Y473
Binding residue
(residue number reindexed from 1)		C64 R67 S68 H102 Y106 I120 S121 M143 H228 Y252
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:2vv4, PDBe:2vv4, PDBj:2vv4
PDBsum2vv4
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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