Structure of PDB 8jlq Chain R Binding Site BS01

Receptor Information
>8jlq Chain R (length=283) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFL
LGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDR
YYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEI
YYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQA
RLISDANQKLQKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLN
DVLIWFGYLNSTFNPMVYAFFYPWFRKALKMML
Ligand information
Ligand IDG3C
InChIInChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1
InChIKeyTVURRHSHRRELCG-CYBMUJFWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O
CACTVS 3.385Oc1ccc(cc1)[C@H]2CNCCc3c(Cl)c(O)c(O)cc23
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O
CACTVS 3.385Oc1ccc(cc1)[CH]2CNCCc3c(Cl)c(O)c(O)cc23
FormulaC16 H16 Cl N O3
Name(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
ChEMBLCHEMBL1160786
DrugBank
ZINCZINC000022116612
PDB chain8jlq 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

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PDB8jlq Ligand recognition and G protein coupling of trace amine receptor TAAR1.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		R83 T100 D103 S107 S183 V184 F186 W264 F267 I290
Binding residue
(residue number reindexed from 1)		R62 T79 D82 S86 S162 V163 F165 W228 F231 I254
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: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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jlq, PDBe:8jlq, PDBj:8jlq
PDBsum8jlq
PubMed37935376
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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