Structure of PDB 2zk2 Chain A Binding Site BS02

Receptor Information
>2zk2 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 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 chain2zk2 Chain A Residue 477 [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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PDB2zk2 Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
Resolution2.26 Å
Binding residue
(original residue number in PDB)		C285 S289 H323 I326 M329 L330 M364 H449 L469 Y473
Binding residue
(residue number reindexed from 1)		C83 S87 H121 I124 M127 L128 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:2zk2, PDBe:2zk2, PDBj:2zk2
PDBsum2zk2
PubMed18977231
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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