Structure of PDB 2vv2 Chain A Binding Site BS01

Receptor Information
>2vv2 Chain A (length=256) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGTTDKSPFVIYDMNSLMM
GEDKIKKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLL
KYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKF
EFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALE
LQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPL
LQEIYK
Ligand information
Ligand ID5HE
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
InChIKeyFTAGQROYQYQRHF-CBVHGRPESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O
ACDLabs 10.04O=C(O)CCCC(O)/C=C/C=C\C\C=C/C\C=C/C\C=C/CC
CACTVS 3.341CCC=CCC=CCC=CCC=CC=C[CH](O)CCCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C=C\[C@H](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)O
FormulaC20 H30 O3
Name(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
ChEMBL
DrugBankDB07172
ZINCZINC000008860440
PDB chain2vv2 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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PDB2vv2 Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.75 Å
Binding residue
(original residue number in PDB)		C285 S289 Y327 L330 I341 F363 M364 H449 L453 Y473
Binding residue
(residue number reindexed from 1)		C67 S71 Y109 L112 I123 F145 M146 H231 L235 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:2vv2, PDBe:2vv2, PDBj:2vv2
PDBsum2vv2
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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