Structure of PDB 8yky Chain R Binding Site BS01

Receptor Information
>8yky Chain R (length=270) Species: 1502,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTALA
ISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLATG
LGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINIHI
NASINRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKMQHTVKG
VKSVITFFLLYAIFSLSFFISVWTSERLEENLIILSQVMGMAYPSCHSCV
LILGNKKLRQASLSVLLWLR
Ligand information
Ligand IDA1AEI
InChIInChI=1S/C13H10F3N7/c1-7-6-10(13(14,15)16)19-12(17-7)18-9-5-3-2-4-8(9)11-20-22-23-21-11/h2-6H,1H3,(H,17,18,19)(H,20,21,22,23)
InChIKeyXXKGCSWBGJTTJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(nc(Nc2ccccc2c3[nH]nnn3)n1)C(F)(F)F
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)Nc2ccccc2c3[nH]nnn3)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cc(C)nc(n1)Nc1ccccc1c1nnn[NH]1
FormulaC13 H10 F3 N7
Name4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain8yky 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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PDB8yky Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		G104 Y107 F198 L201 V230 V233 F237 H276
Binding residue
(residue number reindexed from 1)		G102 Y105 F180 L183 V201 V204 F208 H247
Annotation score1
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0008527 taste 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:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8yky, PDBe:8yky, PDBj:8yky
PDBsum8yky
PubMed38776963
UniProtQ59310;
Q9NYV8|T2R14_HUMAN Taste receptor type 2 member 14 (Gene Name=TAS2R14)

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