Structure of PDB 8kgg Chain R Binding Site BS01

Receptor Information
>8kgg Chain R (length=290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CNVTNVKFQYSLYATTYILIFIPGLLANSAALWVLCRFISKKNKAIIFMI
NLSVADLAHVLSLPLRIYYYISHHWPFQRALCLLCFYLKYLNMYASICFL
TCISLQRCFFLLKPFRARDWKRRYDVGISAAIWIVVGTACLPFPILRSTD
LNNNKSCFADLGYKQMNAVALVGMITVAELAGFVIPVIIIAWCTWKTTIS
LRQPPMAFQGISERQKALRMVFMCAAVFFICFTPYHINFIFYTMVKETII
SSCPVVRIALYFHPFCLCLASLCCLLDPILYYFMASEFRD
Ligand information
Ligand IDWJS
InChIInChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
InChIKeyJFEXCESBNOAOBB-YADHBBJMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OCC(CO[PH](=O)(O)OCC(C(=O)O)[NH3])O
OpenEye OEToolkits 2.0.7[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O
CACTVS 3.385[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
CACTVS 3.385[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@@H](O)CO[PH](O)(=O)OC[C@H]([NH3])C(O)=O
FormulaC24 H20 N O9 P
Name(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8kgg 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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PDB8kgg LPS-bound P2Y10 in complex with G13
Resolution3.06 Å
Binding residue
(original residue number in PDB)		R90 Y114 F167 R171 A183 M198 A202 H287 L291
Binding residue
(residue number reindexed from 1)		R66 Y90 F143 R147 A159 M174 A178 H263 L267
Annotation score1
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0035025 positive regulation of Rho protein signal transduction
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8kgg, PDBe:8kgg, PDBj:8kgg
PDBsum8kgg
PubMed39265572
UniProtO00398|P2Y10_HUMAN Putative P2Y purinoceptor 10 (Gene Name=P2RY10)

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