Structure of PDB 5hzc Chain A Binding Site BS01

Receptor Information
>5hzc Chain A (length=251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLM
MGEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVH
EIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVK
FNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKL
NHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIY
K
Ligand information
Ligand ID65W
InChIInChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)
InChIKeyJTWKEZBNKHBDAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O
OpenEye OEToolkits 2.0.4CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3
CACTVS 3.385CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O
FormulaC20 H18 O3
Name2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
ChEMBLCHEMBL1600564
DrugBank
ZINCZINC000001567038
PDB chain5hzc Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hzc Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R288 L330 M364
Binding residue
(residue number reindexed from 1)		R65 L107 M141
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:5hzc, PDBe:5hzc, PDBj:5hzc
PDBsum5hzc
PubMed27708429
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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