Structure of PDB 2zvt Chain B Binding Site BS01

Receptor Information
>2zvt Chain B (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLM
MGEDKIKFKHITPLQEQSKEVAIRIFQGSQFRSVEAVQEITEYAKSIPGF
VNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSL
RKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPI
EDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVI
KKTETHPLLQEIY
Ligand information
Ligand IDPTG
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1
InChIKeyVHRUMKCAEVRUBK-XOVNXQNQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O
CACTVS 3.341CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O)=O)C=CC/1=O
ACDLabs 10.04O=C\1C=CC(C/1=C\C=C\CCCCC)C/C=C/CCCC(=O)O
CACTVS 3.341CCCCCC=CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O
OpenEye OEToolkits 1.5.0CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
FormulaC20 H28 O3
Name(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid;
15-deoxy-delta(12,14)-prostaglandin J2
ChEMBLCHEMBL1210221
DrugBankDB08435
ZINCZINC000038139032
PDB chain2zvt Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zvt Atomic structure of mutant PPARgamma LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARgamma/RXRalpha function by covalently bound ligands
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S285 R288 A292 L330 I341 S342 E343 M348 F363 M364
Binding residue
(residue number reindexed from 1)		S79 R82 A86 L124 I135 S136 E137 M142 F157 M158
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:2zvt, PDBe:2zvt, PDBj:2zvt
PDBsum2zvt
PubMed19101554
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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