Structure of PDB 8xqn Chain R Binding Site BS02

Receptor Information
>8xqn Chain R (length=284) Species: 1502,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTAL
AISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLAT
GLGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINIH
INASINGYRFTRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKM
QHTVKDASTKAHRGVKSVITFFLLYAIFSLSFFISVWTSERLEENLIILS
QVMGMAYPSCHSCVLILGNKKLRQASLSVLLWLR
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8xqn Chain R Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xqn Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		S65 F76 M81 F82 L85 W89 F172 V180 S183 T184 I187 S265 M268
Binding residue
(residue number reindexed from 1)		S64 F75 M80 F81 L84 W88 F160 V168 S171 T172 I175 S250 M253
Annotation score4
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:8xqn, PDBe:8xqn, PDBj:8xqn
PDBsum8xqn
PubMed38776963
UniProtQ59310;
Q9NYV8|T2R14_HUMAN Taste receptor type 2 member 14 (Gene Name=TAS2R14)

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