Structure of PDB 2zk4 Chain A Binding Site BS01

Receptor Information
>2zk4 Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDM
NSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKS
IPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREF
LKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLN
VKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQL
LQVIKKTETDMSLHPLLQEIYKDL
Ligand information
Ligand IDOCR
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
InChIKeyYGJTUEISKATQSM-KIFLIQHDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O
CACTVS 3.341CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O
ACDLabs 10.04O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
CACTVS 3.341CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O
FormulaC20 H30 O3
Name(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid;
15-oxo-eicosatetraenoic acid
ChEMBL
DrugBank
ZINCZINC000039031959
PDB chain2zk4 Chain A Residue 1 [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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PDB2zk4 Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
Resolution2.57 Å
Binding residue
(original residue number in PDB)		F264 I267 C285 R288 S289 I326 S342 M364
Binding residue
(residue number reindexed from 1)		F62 I65 C83 R86 S87 I124 S140 M162
Annotation score4
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:2zk4, PDBe:2zk4, PDBj:2zk4
PDBsum2zk4
PubMed18977231
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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