Structure of PDB 7qbi Chain B Binding Site BS04

Receptor Information
>7qbi Chain B (length=298) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSLSNLFYDPTYNPGQSTINYTSIYGNGSTITFDELQGLVNSTVTQAIM
FGVRCGAAALTLIVMWMTSRSRKTPIFIINQVSLFLIILHSALYFKYLLS
NYSSVTYALTGFPQFISRGDVHVYGATNIIQVLLVASIETSLVFQIKVIF
TGDNFKRIGLMLTSISFTLGIATVTMYFVSAVKGMIVTYNDVSATQDKYF
NASTILLASSINFMSFVLVVKLILAIRSRRFLGLKQFDSFHILLIMSCQS
LLVPSIIFILAYSLKPNQGTDVLTTVATLLAVLSLPLSSMWATAANNA
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7qbi Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qbi Activation mechanism of the class D fungal GPCR dimer Ste2.
Resolution3.46 Å
Binding residue
(original residue number in PDB)		N46 T50 M54
Binding residue
(residue number reindexed from 1)		N42 T46 M50
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004932 mating-type factor pheromone receptor activity
GO:0004934 mating-type alpha-factor pheromone receptor activity
GO:0005515 protein binding
Biological Process
GO:0000750 pheromone-dependent signal transduction involved in conjugation with cellular fusion
GO:0000755 cytogamy
GO:0007186 G protein-coupled receptor signaling pathway
GO:0019236 response to pheromone
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0038038 G protein-coupled receptor homodimeric complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7qbi, PDBe:7qbi, PDBj:7qbi
PDBsum7qbi
PubMed35296853
UniProtD6VTK4|STE2_YEAST Pheromone alpha factor receptor (Gene Name=STE2)

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