Structure of PDB 8eit Chain R Binding Site BS01

Receptor Information
>8eit Chain R (length=268) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSD
LLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSA
GRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGTSLG
INTPVSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALAR
SGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLG
LITGAWSVVLNPLVTGYL
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 chain8eit Chain R Residue 401 [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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PDB8eit Molecular mechanism of fatty acid activation of FFAR1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V84 F87 Y91 L138 R183 L186 Y240
Binding residue
(residue number reindexed from 1)		V82 F85 Y89 L136 R172 L175 Y229
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0008289 lipid binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
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:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0030073 insulin secretion
GO:0031640 killing of cells of another organism
GO:0032024 positive regulation of insulin secretion
GO:0032691 negative regulation of interleukin-1 beta production
GO:0042593 glucose homeostasis
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
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
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8eit, PDBe:8eit, PDBj:8eit
PDBsum8eit
PubMed37216523
UniProtO14842|FFAR1_HUMAN Free fatty acid receptor 1 (Gene Name=FFAR1);
P00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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