Structure of PDB 7vnh Chain B Binding Site BS01

Receptor Information
>7vnh Chain B (length=113) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMFKSKHKLDFSLVSMDQRGKHILGYADAELVNMGGYDLVHYDDLAYVAS
AHQELLKTGASGMIAYRYQKKDGEWQWLQTSSRLVYKNSKPDFVICTHRQ
LMDEEGHDLLGKR
Ligand information
Ligand IDBHF
InChIInChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyVFMMPHCGEFXGIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
CACTVS 3.341O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
ACDLabs 10.04O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4
FormulaC19 H12 O2
Name2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE;
7,8-BENZOFLAVONE;
ALPHA-NAPHTHOFLAVONE
ChEMBLCHEMBL283196
DrugBankDB07453
ZINCZINC000000038933
PDB chain7vnh Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vnh Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Resolution2.402 Å
Binding residue
(original residue number in PDB)		H275 F279 G304 Y305 V308 V316 I332 Y334 Y336 H366
Binding residue
(residue number reindexed from 1)		H7 F11 G36 Y37 V40 V48 I64 Y66 Y68 H98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0009410 response to xenobiotic stimulus

View graph for
Biological Process
External links
PDB RCSB:7vnh, PDBe:7vnh, PDBj:7vnh
PDBsum7vnh
PubMed36266304
UniProtE1JIM6

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