Structure of PDB 8geb Chain R Binding Site BS01

Receptor Information
>8geb 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 chain8geb 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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PDB8geb Time-resolved cryo-EM of G protein activation by a GPCR
Resolution3.6 Å
Binding residue
(original residue number in PDB)		D113 V117 F193 F289 F290 Y308 N312 Y316
Binding residue
(residue number reindexed from 1)		D83 V87 F163 F230 F231 Y249 N253 Y257
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:8geb, PDBe:8geb, PDBj:8geb
PDBsum8geb
PubMed38480881
UniProtP07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

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