Structure of PDB 7lot Chain B Binding Site BS01

Receptor Information
>7lot Chain B (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKSPFVIYDMNSLMMGED
KIKFKHITEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTL
LKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPK
FEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQAL
ELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETHPLLQE
IYKD
Ligand information
Ligand IDY9A
InChIInChI=1S/C16H17N5O/c1-12-5-7-13(8-6-12)11-22-15-4-2-3-14(9-15)10-17-16-18-20-21-19-16/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyHREJSYOOKBBZAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc(COc2cccc(CNc3[nH]nnn3)c2)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3
FormulaC16 H17 N5 O
Name~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine
ChEMBL
DrugBank
ZINCZINC000004999773
PDB chain7lot 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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PDB7lot Tetrazoles as PPAR gamma ligands: A structural and computational investigation.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		G284 C285 R288 A292 I341 M364
Binding residue
(residue number reindexed from 1)		G67 C68 R71 A75 I124 M147
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:7lot, PDBe:7lot, PDBj:7lot
PDBsum7lot
PubMed33946041
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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