Structure of PDB 6jf0 Chain B Binding Site BS01

Receptor Information
>6jf0 Chain B (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKDKSPFVIYDMNSLMMG
EDKIEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYG
VHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFA
VKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQL
KLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTPLLQEIYK
Ligand information
Ligand IDEBF
InChIInChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKeyLIIALPBMIOVAHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc2C=CC(=O)Oc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)OC(=O)C=C2
FormulaC10 H8 O3
Name7-methoxychromen-2-one
ChEMBLCHEMBL49732
DrugBank
ZINCZINC000000391177
PDB chain6jf0 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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PDB6jf0 Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G284 C285 R288
Binding residue
(residue number reindexed from 1)		G63 C64 R67
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:6jf0, PDBe:6jf0, PDBj:6jf0
PDBsum6jf0
PubMed31991094
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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