Structure of PDB 8t3o Chain R Binding Site BS01

Receptor Information
>8t3o Chain R (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTRFPFFSDVKGDHRLVLAAVETTVLVLIFAVSLLGNVCALVLVARRRRR
GATACLVLNLFCADLLFISAIPLVLAVRWTEAWLLGPVACHLLFYVMTLS
GSVTILTLAAVSLERMVCIVHLQRGPGRRARAVLLALIWGYSAVAALPLC
VFFRVVPQRISICTLIWPTIPGEISWDVSFVTLNFLVPGLVIVISYSKIL
QITKASRKRLTVSLAYSESHQIRVSQQDFRLFRTLFLLMVSFFIMWSPII
ITILLILIQNFKQDLVIWPSLFFWVVAFTFANSALNPILYNMTLCRN
Ligand information
Ligand IDYN9
InChIInChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)
InChIKeyLPGBXHWIQNZEJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(O)=O)cc3
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F
ACDLabs 12.01Cc1ccc(cc1)c1ccc(F)cc1COc1ccc(cc1)CCC(=O)O
FormulaC23 H21 F O3
Name3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid
ChEMBLCHEMBL2058533
DrugBank
ZINCZINC000081213892
PDB chain8t3o Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t3o Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		F88 F115 M118 T119 S123 L173 D208 F211 I280 I284 I287 L288
Binding residue
(residue number reindexed from 1)		F67 F94 M97 T98 S102 L149 D177 F180 I249 I253 I256 L257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
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:8t3o, PDBe:8t3o, PDBj:8t3o
PDBsum8t3o
PubMed38198545
UniProtQ5NUL3|FFAR4_HUMAN Free fatty acid receptor 4 (Gene Name=FFAR4)

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