Structure of PDB 8xbe Chain A Binding Site BS01

Receptor Information
>8xbe Chain A (length=298) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCPMDEKLLSTVLTTSYSVIFIVGLVGNIIALYVFLGIHRKRNSIQIYLL
NVAIADLLLIFCLPFRIMYHINQNKWTLGVILCKVVGTLFYMNMYISIIL
LGFISLDRYIKINRSIQQRKAITTKQSIYVCCIVWMLALGGFLTMIILTL
KKGGHNSTMCFHYRDKHNAKGEAIFNFILVVMFWLIFLLIILSYIKIGKN
LLRISKRRSKFPNSGKYATTARNSFIVLIIFTICFVPYHAFRFIYISSQL
NVSSCYWKEIVHKTNEIMLVLSSFNSCLDPVMYFLMSSNIRKIMCQLL
Ligand information
Ligand IDKW0
InChIInChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1
InChIKeyGBVRPEHKCBAZPS-ZZKNSMQJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC)OP(=O)(O)OCC(C(=O)O)N
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](COCC)O[P](O)(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COCC)OP(=O)(O)OC[C@@H](C(=O)O)N
FormulaC26 H50 N O9 P
Name(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8xbe Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xbe Structural basis for lysophosphatidylserine recognition by GPR34.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K128 G131 Y135 M136 G185 M189 T193 F205 F219 N220 L223 Y289 N309
Binding residue
(residue number reindexed from 1)		K84 G87 Y91 M92 G141 M145 T149 F161 F175 N176 L179 Y245 N265
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:8xbe, PDBe:8xbe, PDBj:8xbe
PDBsum8xbe
PubMed38326347
UniProtQ9UPC5|GPR34_HUMAN Probable G-protein coupled receptor 34 (Gene Name=GPR34)

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