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Structure of PDB 8wrb Chain R Binding Site BS02

Receptor Information
>8wrb Chain R (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLLSTVLTTSYSVIFIVGLVGNIIALYVFLGIHRKRNSIQIYLLNVAIA
DLLLIFCLPFRIMYHINQNKWTLGVILCKVVGTLFYMNMYISIILLGFIS
LDRYIKINTTKQSIYVCCIVWMLALGGFLTMIILTLKKGGHNSTMCFHYR
DKHNAKGEAIFNFILVVMFWLIFLLIILSYIKIGKNLLRISKRRSKFPNS
GKYATTARNSFIVLIIFTICFVPYHAFRFIYISSQLNVSSCYWKEIVHKT
NEIMLVLSSFNSCLDPVMYFLMSSNIRKIMC
Ligand information
Ligand IDUBL
InChIInChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
InChIKeyWRGQSWVCFNIUNZ-GDCKJWNLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
FormulaC21 H41 O7 P
Name[(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate
ChEMBLCHEMBL117021
DrugBank
ZINCZINC000008860530
PDB chain8wrb Chain R Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wrb Structural basis for ligand recognition and signaling of the lysophosphatidylserine receptors GPR34 and GPR174
Resolution2.91 Å
Binding residue
(original residue number in PDB)
A182 M189 F205 R208 N220 L223 M226
Binding residue
(residue number reindexed from 1)
A124 M131 F147 R150 N162 L165 M168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0045028 G protein-coupled purinergic nucleotide receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0035589 G protein-coupled purinergic nucleotide receptor 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:8wrb, PDBe:8wrb, PDBj:8wrb
PDBsum8wrb
PubMed38048360
UniProtQ9UPC5|GPR34_HUMAN Probable G-protein coupled receptor 34 (Gene Name=GPR34)

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