Structure of PDB 7wu3 Chain R Binding Site BS01

Receptor Information

>7wu3 Chain R (length=280) Species: 9606 (Homo sapiens)

TSFSILMSPFVPSTIFPVVKWITYVGLGISIGSLILCLIIEALFWKQIKK
SQTSHTRRICMVNIALSLLIADVWFIVGATVSGVCTAAVFFTHFFYLSLF
FWMLMLGILLAYRIILVFHHMAQHLMMAVGFCLGYGCPLIISVITIAVTQ
PSNTYKRKDVCWLNWSNGSKPLLAFVVPALAIVAVNFVVVLLVLTKLWRP
TVGERLSRDDKATIIRVGKSLLILTPLLGLTWGFGIGTIVDSQNLAWHVI
FALLNAFQGFFILCFGILLDSKLRQLLFNK

Ligand information

• Ligand ID: K6G
• InChI: InChI=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)
• InChIKey: SCBAYHQXYOJTRE-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)O
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OCC[N](C)(C)C
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
• Formula: C24 H51 N O7 P
• Name: [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
• PDB chain: 7wu3 Chain R Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wu3 Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): C626 M677 Y684 L688 M698
• Binding residue (residue number reindexed from 1): C60 M105 Y112 L116 M126
• Annotation score: 1

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

External links

• PDB: RCSB:7wu3, PDBe:7wu3, PDBj:7wu3
• PDBsum: 7wu3
• PubMed: 35418679
• UniProt: Q5T601|AGRF1_HUMAN Adhesion G-protein coupled receptor F1 (Gene Name=ADGRF1)