Structure of PDB 8t3v Chain R Binding Site BS01

Receptor Information
>8t3v Chain R (length=276) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGC
SDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAAL
SAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGW
LDHSNTSLGINTPVNVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYV
GCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNL
GGSWRKLGLITGAWSVVLNPLVTGYL
Ligand information
Ligand IDHXA
InChIInChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
CACTVS 3.341CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
ACDLabs 10.04O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
FormulaC22 H32 O2
NameDOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
ChEMBLCHEMBL367149
DrugBankDB03756
ZINCZINC000004474564
PDB chain8t3v Chain R Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8t3v Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Resolution3.39 Å
Binding residue
(original residue number in PDB)		A83 V84 F87 L135 L138 F142 R183 R258
Binding residue
(residue number reindexed from 1)		A83 V84 F87 L135 L138 F142 R180 R255
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0008289 lipid binding
GO:0045125 bioactive lipid receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0030073 insulin secretion
GO:0032024 positive regulation of insulin secretion
GO:0032691 negative regulation of interleukin-1 beta production
GO:0042593 glucose homeostasis
GO:0051928 positive regulation of calcium ion transport
GO:0070542 response to fatty acid
GO:0099105 ion channel modulating, G protein-coupled receptor signaling pathway
GO:1990806 ligand-gated ion channel signaling pathway
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:8t3v, PDBe:8t3v, PDBj:8t3v
PDBsum8t3v
PubMed38198545
UniProtO14842|FFAR1_HUMAN Free fatty acid receptor 1 (Gene Name=FFAR1)

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