Structure of PDB 7wu4 Chain R Binding Site BS02

Receptor Information
>7wu4 Chain R (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSFSILMSPFVPSTIFPVVKWITYVGLGISIGSLILCLIIEALFWKQIKK
SQTSHTRRICMVNIALSLLIADVWFIVGATVDTTVNPSGVCTAAVFFTHF
FYLSLFFWMLMLGILLAYRIILVFHHMAQHLMMAVGFCLGYGCPLIISVI
TIAVTQPSNTYKRKDVCWLNWSNGSKPLLAFVVPALAIVAVNFVVVLLVL
TKLWRPTVGERLSRDDKATIIRVGKSLLILTPLLGLTWGFGIGTIVDSQN
LAWHVIFALLNAFQGFFILCFGILLDSKLRQLLFNK
Ligand information
Ligand IDK6G
InChIInChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)
InChIKeySCBAYHQXYOJTRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OCC[N](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
FormulaC24 H51 N O7 P
Name[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
ChEMBL
DrugBank
ZINC
PDB chain7wu4 Chain R Residue 902 [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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PDB7wu4 Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C626 W674 M677 L681 Y684 M698 M699 G702
Binding residue
(residue number reindexed from 1)		C60 W108 M111 L115 Y118 M132 M133 G136
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
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:7wu4, PDBe:7wu4, PDBj:7wu4
PDBsum7wu4
PubMed35418679
UniProtQ5T601|AGRF1_HUMAN Adhesion G-protein coupled receptor F1 (Gene Name=ADGRF1)

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