Structure of PDB 8wc7 Chain R Binding Site BS01

Receptor Information
>8wc7 Chain R (length=270) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYSLMSLIILATLVGNLIVIISISHFKQLHTPTNWLLHSMAIVDFLLGCL
IMPCSMVRTVERCWYFGEILCKVHTSTDIMLSSASIFHLAFISIDRYCAV
CDPLRYKAKINISTILVMILVSWSLPAVYAFGMIFLELNLKGVEELYRSQ
VSDLGGCSPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARSIN
RTTKAAKTLGIMVGVFLVCWCPFFLCTVLDPFLGYVIPPSLNDALYWFGY
LNSALNPMVYAFFYPWFRRA
Ligand information
Ligand IDVMK
InChIInChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2
InChIKeyQQIZQBKKQAFAJV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCc1ccc(cc1)c2cccc(F)c2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)c2ccc(cc2)CCN
FormulaC14 H14 F N
Name2-[4-(3-fluorophenyl)phenyl]ethanamine
ChEMBLCHEMBL4301324
DrugBank
ZINC
PDB chain8wc7 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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PDB8wc7 Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D102 I103 Y153 A193 S197 F264 F265 Y287 Y291
Binding residue
(residue number reindexed from 1)		D78 I79 Y129 A169 S173 F223 F224 Y246 Y250
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:0007191 adenylate cyclase-activating dopamine 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:8wc7, PDBe:8wc7, PDBj:8wc7
PDBsum8wc7
PubMed37963465
UniProtQ923Y8|TAAR1_MOUSE Trace amine-associated receptor 1 (Gene Name=Taar1)

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