Structure of PDB 2vv1 Chain B Binding Site BS01

Receptor Information
>2vv1 Chain B (length=239) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLRALAKHLYDSYIKSFPLTKAKARAILTGKDKSPFVIYDMNSLMMGEV
AIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIY
TMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNAL
ELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPE
SSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTPLLQEIY
Ligand information
Ligand ID4HD
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/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1
InChIKeyIFRKCNPQVIJFAQ-HBUOOPIGSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C=C/[C@@H](O)CCC(O)=O
ACDLabs 10.04O=C(O)CCC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CC=C[CH](O)CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CC=CC(CCC(=O)O)O
FormulaC22 H32 O3
Name(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
ChEMBL
DrugBankDB07111
ZINCZINC000028135475
PDB chain2vv1 Chain B Residue 1474 [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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PDB2vv1 Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C285 R288 I326 V339 S342 M364
Binding residue
(residue number reindexed from 1)		C58 R61 I99 V112 S115 M137
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:2vv1, PDBe:2vv1, PDBj:2vv1
PDBsum2vv1
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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