Structure of PDB 6izm Chain A Binding Site BS02

Receptor Information
>6izm Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLM
MGEDKIKFKHITPKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDL
NDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFG
DFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQD
NLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTET
DMSLHPLLQEIYKDLY
Ligand information
Ligand IDB0X
InChIInChI=1S/C23H21N3O4/c1-14-7-10-21(15(2)24-14)30-18-8-9-19-20(12-18)26(3)22(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
InChIKeySWNQXLUHHMLVFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)cc13
OpenEye OEToolkits 2.0.6Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C
FormulaC23 H21 N3 O4
Name3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
ChEMBLCHEMBL4752692
DrugBank
ZINC
PDB chain6izm 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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PDB6izm Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F264 R280 I281 G284 C285 R288 S289 Y327 I341 M348 F363 M364 K367
Binding residue
(residue number reindexed from 1)		F58 R69 I70 G73 C74 R77 S78 Y116 I130 M137 F152 M153 K156
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:6izm, PDBe:6izm, PDBj:6izm
PDBsum6izm
PubMed30891140
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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