Structure of PDB 8wca Chain R Binding Site BS01

Receptor Information
>8wca Chain R (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFL
LGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDR
YYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEI
YYKHVHCRSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLI
RKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLN
STFNPMVYAFFYPWFRKALKMML
Ligand information
Ligand IDPEA
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[NH3+]CCc1ccccc1
ACDLabs 10.04c1ccccc1CC[NH3+]
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC[NH3+]
FormulaC8 H12 N
Name2-PHENYLETHYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain8wca 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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PDB8wca Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Resolution3.48 Å
Binding residue
(original residue number in PDB)		D103 I104 F267 F268
Binding residue
(residue number reindexed from 1)		D82 I83 F221 F222
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001594 trace-amine receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0008227 G protein-coupled amine receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0012505 endomembrane system
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:8wca, PDBe:8wca, PDBj:8wca
PDBsum8wca
PubMed37963465
UniProtQ96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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