Structure of PDB 8yrg Chain R Binding Site BS01

Receptor Information
>8yrg Chain R (length=237) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLSFTVLTCIISLVGLTGNAVVLWLLGYRMRRNAVSIYILNLAAADFLF
LSFQIIRSPLRLINISHLIRKILVSVMTFPYFTGLSMLSAISTERCLSVL
WPIWYRCRRPTHLSAVVCVLLWGLSLLFSMLEWRFTSDFIPVAWLIFLCV
VLCVSSLVLLVRILCGSRKMPLTRLYVTILLTVLVFLLCGLPFGILGALI
YRMHLNLEVLYCHVYLVCMSLSSLNSSANPIIYFFVG
Ligand information
Ligand IDA1LZU
InChIInChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
InChIKeyQVNNONOFASOXQV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C
CACTVS 3.385CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O
FormulaC13 H21 O5 P
Name[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain8yrg Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8yrg MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		R82 R86 H92 R95 K96 Y250 Y254
Binding residue
(residue number reindexed from 1)		R57 R61 H67 R70 K71 Y211 Y215
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0046872 metal ion binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8yrg, PDBe:8yrg, PDBj:8yrg
PDBsum8yrg
PubMed38718132
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q96LA9

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