Structure of PDB 8zss Chain R Binding Site BS01

Receptor Information
>8zss Chain R (length=282) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFL
LGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDR
YYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEI
YYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQA
RLISDANQKRKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLND
VLIWFGYLNSTFNPMVYAFFYPWFRKALKMML
Ligand information
Ligand IDA1D8X
InChIInChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyIOHOUWIYOVWGHV-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1c(F)cccc1[C@H]2COC(=N2)N
CACTVS 3.385Cc1c(F)cccc1[CH]2COC(=N2)N
OpenEye OEToolkits 2.0.7Cc1c(cccc1F)[C@H]2COC(=N2)N
OpenEye OEToolkits 2.0.7Cc1c(cccc1F)C2COC(=N2)N
FormulaC10 H11 F N2 O
Name(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain8zss 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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PDB8zss The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Resolution3.07 Å
Binding residue
(original residue number in PDB)		D103 I104 S107 V184 F186 W264 F267 F268 I290 G293 Y294
Binding residue
(residue number reindexed from 1)		D82 I83 S86 V163 F165 W227 F230 F231 I253 G256 Y257
Annotation score1
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
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
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0012505 endomembrane system
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:8zss, PDBe:8zss, PDBj:8zss
PDBsum8zss
PubMed39002128
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q96RJ0|TAAR1_HUMAN Trace amine-associated receptor 1 (Gene Name=TAAR1)

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