Structure of PDB 8yky Chain R Binding Site BS02

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 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 chain8yky 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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PDB8yky Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		F76 F82 L85 T86 W89 V180 S183 T184 I187 I262 S265 Q266 M268
Binding residue
(residue number reindexed from 1)		F74 F80 L83 T84 W87 V162 S165 T166 I169 I233 S236 Q237 M239
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:8yky, PDBe:8yky, PDBj:8yky
PDBsum8yky
PubMed38776963
UniProtQ59310;
Q9NYV8|T2R14_HUMAN Taste receptor type 2 member 14 (Gene Name=TAS2R14)

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