Structure of PDB 7xp6 Chain R Binding Site BS01

Receptor Information
>7xp6 Chain R (length=283) Species: 9606,203119 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFLPIIFSILIVVTFVIGNFANGFIALVNSIEWFKRQKISFADQILTALA
VSRVGLLWVLVLNWYATELNPAFNSIEVRITAYNVWAVINHFSNWLATSL
SIFYLLKIANFSNLIFLHLKRRVKSVVLVILLGPLLFLVCHLFVINMNQI
IWTKYLSNTTVTILANLVPFTLTLISFLLLICSLCKHLKKMQLHGKGSQD
PSMKVHIKALQTVTSFLLLCAIYFLSIIMSVWSFESLENKPVFMFCEAIA
FSYPSTHPFILIWGNKKLKQTFLSVLWHVRYWV
Ligand information
Ligand IDSY9
InChIInChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChIKeyQMGVPVSNSZLJIA-FVWCLLPLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc2c(c1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5
OpenEye OEToolkits 1.6.1c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
CACTVS 3.352O=C1C[C@@H]2OCC=C3C[N@]4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
CACTVS 3.352O=C1C[CH]2OCC=C3C[N]4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67
FormulaC21 H22 N2 O2
NameSTRYCHNINE
ChEMBLCHEMBL227934
DrugBankDB15954
ZINCZINC000000119434
PDB chain7xp6 Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xp6 Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		N65 Y85 W88 E265
Binding residue
(residue number reindexed from 1)		N63 Y83 W86 E247
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004930 G protein-coupled receptor activity
GO:0033038 bitter taste receptor activity
Biological Process
GO:0001580 detection of chemical stimulus involved in sensory perception of bitter taste
GO:0007186 G protein-coupled receptor signaling pathway
GO:0050909 sensory perception of taste
Cellular Component
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0016020 membrane
GO:0060170 ciliary membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xp6, PDBe:7xp6, PDBj:7xp6
PDBsum7xp6
PubMed36108005
UniProtP16218|GUNH_ACET2 Endoglucanase H (Gene Name=celH);
P59540

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