Structure of PDB 8ggr Chain R Binding Site BS01

Receptor Information
>8ggr Chain R (length=281) 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
QKIDKSEGRHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYI
LLNWIGYVNSGFNPLIYCRSPDFRIAFQELL
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 chain8ggr 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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PDB8ggr Time-resolved cryo-EM of G protein activation by a GPCR
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D113 F193
Binding residue
(residue number reindexed from 1)		D83 F163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004935 adrenergic receptor activity
GO:0004941 beta2-adrenergic receptor activity
Biological Process
GO:0006940 regulation of smooth muscle contraction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0097746 blood vessel diameter maintenance
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:8ggr, PDBe:8ggr, PDBj:8ggr
PDBsum8ggr
PubMed38480881
UniProtP07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

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