Structure of PDB 8w8a Chain R Binding Site BS01

Receptor Information
>8w8a Chain R (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATV
DFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFIS
IDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGA
EEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAK
EQARLISDANQKLQERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYII
PPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMM
Ligand information
Ligand IDT5U
InChIInChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1
InChIKeyIXDKFUBXESWHSL-JQWIXIFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[C@@H](C[C@H]1COC(=N)N1)c2ccccc2
OpenEye OEToolkits 2.0.7[H]/N=C\1/N[C@H](CO1)C[C@H](CC)c2ccccc2
OpenEye OEToolkits 2.0.7CCC(CC1COC(=N)N1)c2ccccc2
CACTVS 3.385CC[CH](C[CH]1COC(=N)N1)c2ccccc2
FormulaC13 H18 N2 O
Name(4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine;
RO5256390
ChEMBLCHEMBL3684869
DrugBank
ZINCZINC000113978348
PDB chain8w8a 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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PDB8w8a Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D103 S107 V184 T194 W264 F267 F268 I290 G293 Y294
Binding residue
(residue number reindexed from 1)		D85 S89 V166 T176 W233 F236 F237 I259 G262 Y263
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
View graph for
Cellular Component
External links
PDB RCSB:8w8a, PDBe:8w8a, PDBj:8w8a
PDBsum8w8a
PubMed37935377
UniProtQ96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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