Structure of PDB 8w87 Chain R Binding Site BS01

Receptor Information
>8w87 Chain R (length=289) 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
PPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLF
Ligand information
Ligand IDB40
InChIInChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
InChIKeyMYWUZJCMWCOHBA-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](Cc1ccccc1)NC
ACDLabs 10.04N(C(Cc1ccccc1)C)C
CACTVS 3.341CN[CH](C)Cc1ccccc1
CACTVS 3.341CN[C@@H](C)Cc1ccccc1
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1)NC
FormulaC10 H15 N
Name(2S)-N-methyl-1-phenylpropan-2-amine;
Methamphetamine
ChEMBLCHEMBL1201201
DrugBankDB01577
ZINCZINC000006021043
PDB chain8w87 Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w87 Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D103 I104 S107 F186 T194 S198 W264 F267 F268 Y294
Binding residue
(residue number reindexed from 1)		D85 I86 S89 F168 T176 S180 W233 F236 F237 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
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Cellular Component
External links
PDB RCSB:8w87, PDBe:8w87, PDBj:8w87
PDBsum8w87
PubMed37935377
UniProtQ96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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