Structure of PDB 8uo1 Chain R Binding Site BS01

Receptor Information
>8uo1 Chain R (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADL
VMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVD
RYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQL
QKIDKSEGRFEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEV
YILLNWIGYVNSGFNPLIYCRSPDFRIAFQEL
Ligand information
Ligand IDG1I
InChIInChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1
InChIKeyVJBMHARWYAGTQQ-PSASIEDQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC1CCc2c(ccc(c2O)O)C1O
CACTVS 3.385CN[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
CACTVS 3.385CN[CH]1CCc2c(O)c(O)ccc2[CH]1O
OpenEye OEToolkits 2.0.7CN[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O
FormulaC11 H15 N O3
Name(5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
ChEMBL
DrugBank
ZINC
PDB chain8uo1 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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PDB8uo1 Time-resolved cryo-EM of G protein activation by a GPCR
Resolution3.6 Å
Binding residue
(original residue number in PDB)		D113 V117 F193 S203 N312
Binding residue
(residue number reindexed from 1)		D83 V87 F163 S173 N255
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001540 amyloid-beta binding
GO:0004930 G protein-coupled receptor activity
GO:0004935 adrenergic receptor activity
GO:0004941 beta2-adrenergic receptor activity
GO:0005515 protein binding
GO:0008179 adenylate cyclase binding
GO:0015459 potassium channel regulator activity
GO:0019899 enzyme binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0051380 norepinephrine binding
Biological Process
GO:0001993 regulation of systemic arterial blood pressure by norepinephrine-epinephrine
GO:0002024 diet induced thermogenesis
GO:0002025 norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure
GO:0002028 regulation of sodium ion transport
GO:0006366 transcription by RNA polymerase II
GO:0006898 receptor-mediated endocytosis
GO:0006939 smooth muscle contraction
GO:0006940 regulation of smooth muscle contraction
GO:0007166 cell surface receptor signaling pathway
GO:0007171 activation of transmembrane receptor protein tyrosine kinase activity
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0008333 endosome to lysosome transport
GO:0009409 response to cold
GO:0030501 positive regulation of bone mineralization
GO:0031649 heat generation
GO:0040015 negative regulation of multicellular organism growth
GO:0043410 positive regulation of MAPK cascade
GO:0045453 bone resorption
GO:0045744 negative regulation of G protein-coupled receptor signaling pathway
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0045986 negative regulation of smooth muscle contraction
GO:0050873 brown fat cell differentiation
GO:0061885 positive regulation of mini excitatory postsynaptic potential
GO:0071875 adrenergic receptor signaling pathway
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0097746 blood vessel diameter maintenance
GO:0098990 AMPA selective glutamate receptor signaling pathway
GO:0120162 positive regulation of cold-induced thermogenesis
GO:0141163 positive regulation of cAMP/PKA signal transduction
GO:1901098 positive regulation of autophagosome maturation
GO:1904504 positive regulation of lipophagy
GO:1904646 cellular response to amyloid-beta
GO:1990911 response to psychosocial stress
Cellular Component
GO:0005634 nucleus
GO:0005764 lysosome
GO:0005768 endosome
GO:0005769 early endosome
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030669 clathrin-coated endocytic vesicle membrane
GO:0043235 receptor complex
GO:0098992 neuronal dense core vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8uo1, PDBe:8uo1, PDBj:8uo1
PDBsum8uo1
PubMed38480881
UniProtP07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

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