Structure of PDB 8w8b Chain R Binding Site BS02

Receptor Information
>8w8b Chain R (length=278) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLM
VSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSIWHLCAIALDR
YWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWPDACTISKD
HGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKKNERNAEAKRKMAL
ARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINW
LGYSNSLLNPVIYAYFNKDFQNAFKKII
Ligand information
Ligand IDUJL
InChIInChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyABDDQTDRAHXHOC-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCC1c2c(ccs2)CCO1
OpenEye OEToolkits 2.0.7CNC[C@H]1c2c(ccs2)CCO1
CACTVS 3.385CNC[CH]1OCCc2ccsc12
CACTVS 3.385CNC[C@@H]1OCCc2ccsc12
FormulaC9 H13 N O S
Name1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine;
Ulotaront;
SEP-363856 ;
SEP-856
ChEMBLCHEMBL4650337
DrugBankDB15665
ZINCZINC000205013646
PDB chain8w8b Chain R Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w8b Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D116 C120 I189 F361 F362
Binding residue
(residue number reindexed from 1)		D82 C86 I147 F224 F225
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001586 Gi/o-coupled serotonin receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0004993 G protein-coupled serotonin receptor activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0030594 neurotransmitter receptor activity
GO:0046872 metal ion binding
GO:0051378 serotonin binding
GO:0090722 receptor-receptor interaction
GO:0099589 serotonin receptor activity
Biological Process
GO:0001662 behavioral fear response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0007210 serotonin receptor signaling pathway
GO:0007214 gamma-aminobutyric acid signaling pathway
GO:0007268 chemical synaptic transmission
GO:0008284 positive regulation of cell population proliferation
GO:0014062 regulation of serotonin secretion
GO:0019229 regulation of vasoconstriction
GO:0022900 electron transport chain
GO:0035640 exploration behavior
GO:0042053 regulation of dopamine metabolic process
GO:0042428 serotonin metabolic process
GO:0046883 regulation of hormone secretion
GO:0050795 regulation of behavior
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0042597 periplasmic space
GO:0042995 cell projection
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w8b, PDBe:8w8b, PDBj:8w8b
PDBsum8w8b
PubMed37935377
UniProtP08908|5HT1A_HUMAN 5-hydroxytryptamine receptor 1A (Gene Name=HTR1A);
P0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC)

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