Structure of PDB 9iiw Chain R Binding Site BS02

Receptor Information
>9iiw Chain R (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGGVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTA
LAISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLA
TGLGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINI
HINASINGYRRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKMQ
HTVKISGHRGVKSVITFFLLYAIFSLSFFISVWTSERLEENLIILSQVMG
MAYPSCHSCVLILGNKKLRQASLSVLLWLRYMFK
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 chain9iiw Chain R Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9iiw Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		I62 S65 F76 L85 T86 W89 S265 Q266
Binding residue
(residue number reindexed from 1)		I62 S65 F76 L85 T86 W89 S246 Q247
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:9iiw, PDBe:9iiw, PDBj:9iiw
PDBsum9iiw
PubMed38969802
UniProtQ9NYV8|T2R14_HUMAN Taste receptor type 2 member 14 (Gene Name=TAS2R14)

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