Structure of PDB 8jlj Chain R Binding Site BS01

Receptor Information
>8jlj Chain R (length=270) Species: 562,10090 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLYSLMSLIILATLVGNLIVIISISHFKQLHTPTNWLLHSMAIVDFLLG
CLIMPCSMVRTVERCWYFGEILCKVHTSTDIMLSSASIFHLAFISIDRYC
AVCDPLRYKAKINISTILVMILVSWSLPAVYAFGMIFLELNLKGVEELYR
SQVSDLGGCSPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARS
INRTKAAKTLGIMVGVFLVCWCPFFLCTVLDPFLGYVIPPSLNDALYWFG
YLNSALNPMVYAFFYPWFRR
Ligand information
Ligand IDUJF
InChIInChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
InChIKeyXIINYOJWNGOUPF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1O)Oc2ccc(cc2I)CCN
CACTVS 3.385NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
FormulaC14 H14 I N O2
Name4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
ChEMBLCHEMBL1182312
DrugBank
ZINCZINC000013681007
PDB chain8jlj Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8jlj Ligand recognition and G protein coupling of trace amine receptor TAAR1.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D102 I103 S106 Y153 P183 A193 S197 F264 Y287
Binding residue
(residue number reindexed from 1)		D80 I81 S84 Y131 P161 A171 S175 F224 Y247
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:0005506 iron ion binding
GO:0008227 G protein-coupled amine receptor activity
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
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
GO:0022900 electron transport chain
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jlj, PDBe:8jlj, PDBj:8jlj
PDBsum8jlj
PubMed37935376
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q923Y8|TAAR1_MOUSE Trace amine-associated receptor 1 (Gene Name=Taar1)

[Back to BioLiP]