Structure of PDB 6jey Chain A Binding Site BS02

Receptor Information
>6jey 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 IDEJL
InChIInChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyLHUWCJHCWHNRNX-JLNKQSITSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O
CACTVS 3.385CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O
FormulaC24 H32 O3
Name(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
ChEMBL
DrugBank
ZINC
PDB chain6jey Chain A Residue 502 [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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PDB6jey Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I281 F282 G284 C285 Q286 R288 V339 I341 M348 L353 F363 M364 H449
Binding residue
(residue number reindexed from 1)		I63 F64 G66 C67 Q68 R70 V121 I123 M130 L135 F145 M146 H231
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:6jey, PDBe:6jey, PDBj:6jey
PDBsum6jey
PubMed31991094
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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