Structure of PDB 8wc8 Chain R Binding Site BS01

Receptor Information
>8wc8 Chain R (length=276) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDF
LLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISID
RYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEE
IYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQ
ARLISDARKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVL
IWFGYLNSTFNPMVYAFFYPWFRKAL
Ligand information
Ligand IDVMT
InChIInChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyZSZCXAOQVBEPME-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCc1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCN)Br
FormulaC8 H10 Br N
Name2-(4-bromophenyl)ethanamine;
4-Bromophenethylamine
ChEMBLCHEMBL476516
DrugBank
ZINCZINC000000406936
PDB chain8wc8 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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PDB8wc8 Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S107 T194 W264 F267 F268 Y294
Binding residue
(residue number reindexed from 1)		S87 T174 W225 F228 F229 Y255
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:8wc8, PDBe:8wc8, PDBj:8wc8
PDBsum8wc8
PubMed37963465
UniProtQ96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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