Structure of PDB 7xjh Chain R Binding Site BS01

Receptor Information
>7xjh Chain R (length=276) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVALAGALLALEVLATVGGNLLVIVAIARTPRLQTMTNVFVTSLATADLV
VGLLVVPPGATLALTGRWPLGATGCELWTSVDVLCVTASIETLCALAVDR
YLAVTNPLRYGALVTKRRARAAVVLVWVVSAAVSFAPIMSEAQRCHSNPH
CCAFASNIPYALLSSSVSFYLPLLVMLFVYARVFLVATRQLRLLRRELGR
FPEHRALRTLGLIVGTFTLCWLPFFVANVMRALGGPSLVPSPALLALNWL
GYANSAFNPLIYCRSPDFRSAFRRLL
Ligand information
Ligand ID5FW
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
InChIKeyJWZZKOKVBUJMES-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)NC[C@@H](c1ccc(c(c1)O)O)O
CACTVS 3.352CC(C)NC[C@H](O)c1ccc(O)c(O)c1
CACTVS 3.352CC(C)NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.6.1CC(C)NCC(c1ccc(c(c1)O)O)O
FormulaC11 H17 N O3
NameISOPRENALINE
ChEMBLCHEMBL1160723
DrugBank
ZINCZINC000000056652
PDB chain7xjh Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xjh Cryo-EM structure of the beta 3-adrenergic receptor reveals the molecular basis of subtype selectivity.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		W113 D117 V121 F198 S208 S212 F308 N332
Binding residue
(residue number reindexed from 1)		W78 D82 V86 F154 S164 S168 F224 N248
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004935 adrenergic receptor activity
GO:0004939 beta-adrenergic receptor activity
GO:0004993 G protein-coupled serotonin receptor activity
GO:0015052 beta3-adrenergic receptor activity
GO:0030594 neurotransmitter receptor activity
GO:0042803 protein homodimerization activity
GO:0051378 serotonin binding
GO:0051380 norepinephrine binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0043410 positive regulation of MAPK cascade
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0043235 receptor complex
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xjh, PDBe:7xjh, PDBj:7xjh
PDBsum7xjh
PubMed34314699
UniProtO02662|ADRB3_CANLF Beta-3 adrenergic receptor (Gene Name=ADRB3)

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