Structure of PDB 8h4l Chain R Binding Site BS01

Receptor Information
>8h4l Chain R (length=302) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRTRFPFFSDVKGDHRLVLAAVETTVLVLIFAVSLLGNVCALVLVARRRR
RGATACLVLNLFCADLLFISAIPLVLAVRWTEAWLLGPVACHLLFYVMTL
SGSVTILTLAAVSLERMVCIVHLQRGVRGPGRRARAVLLALIWGYSAVAA
LPLCVFFRVVPQRLPGADQEISICTLIWPTIPGEISWDVSFVTLNFLVPG
LVIVISYSKILQITKASRKRLTVSLAYSESHQIRVSQQDFRLFRTLFLLM
VSFFIMWSPIIITILLILIQNFKQDLVIWPSLFFWVVAFTFANSALNPIL
YN
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 chain8h4l 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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PDB8h4l Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Resolution3.07 Å
Binding residue
(original residue number in PDB)		F88 M118 I126 D208 F211 W277
Binding residue
(residue number reindexed from 1)		F68 M98 I106 D188 F191 W257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0008527 taste receptor activity
GO:0042277 peptide binding
Biological Process
GO:0001818 negative regulation of cytokine production
GO:0006954 inflammatory response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating 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:0010827 regulation of D-glucose transmembrane transport
GO:0030154 cell differentiation
GO:0032691 negative regulation of interleukin-1 beta production
GO:0032870 cellular response to hormone stimulus
GO:0036321 ghrelin secretion
GO:0043066 negative regulation of apoptotic process
GO:0045444 fat cell differentiation
GO:0045669 positive regulation of osteoblast differentiation
GO:0046879 hormone secretion
GO:0050728 negative regulation of inflammatory response
GO:0050872 white fat cell differentiation
GO:0050873 brown fat cell differentiation
GO:0050912 detection of chemical stimulus involved in sensory perception of taste
GO:0070094 positive regulation of glucagon secretion
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0090275 negative regulation of somatostatin secretion
GO:0090336 positive regulation of brown fat cell differentiation
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0030139 endocytic vesicle
GO:0042995 cell projection
GO:0060170 ciliary membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8h4l, PDBe:8h4l, PDBj:8h4l
PDBsum8h4l
PubMed37286793
UniProtQ5NUL3|FFAR4_HUMAN Free fatty acid receptor 4 (Gene Name=FFAR4)

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