Structure of PDB 5hzc Chain B Binding Site BS01

Receptor Information
>5hzc Chain B (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLM
MGKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGV
HEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLKPFGDFMEPKFEFAVK
FNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKL
NHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIY
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 B 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)		G284 C285 R288 L330 L333 I341 M364
Binding residue
(residue number reindexed from 1)		G62 C63 R66 L108 L111 I119 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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