Structure of PDB 2zvt Chain A Binding Site BS01

Receptor Information
>2zvt 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
NSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGSQFRSVEAVQEITEYAKS
IPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREF
LKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLN
VKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQL
LQVIKKTETDMSLHPLLQEIYKDL
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 A Residue 1 [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)		R288 S289 H323 I326 Y327 I341 M364 H449 L469 Y473
Binding residue
(residue number reindexed from 1)		R86 S87 H121 I124 Y125 I139 M162 H247 L267 Y271
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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