Structure of PDB 8qx2 Chain B Binding Site BS01

Receptor Information
>8qx2 Chain B (length=217) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIV
KADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDIT
AYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCA
VKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCC
PEPYIDVNLVVKFRERR
Ligand information
Ligand IDILR
InChIInChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1
InChIKeyNFGZUBPFTHPCRY-GFCCVEGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=NCCCC12CCCCC23OCCO3
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=NCCC[C@]12CCCCC23OCCO3
CACTVS 3.385CC1=NCCC[C]12CCCCC23OCCO3
FormulaC13 H21 N O2
NameSpiroimine (+)-4 R;
(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene;
(R)-(+)-Spiroimine
ChEMBL
DrugBank
ZINC
PDB chain8qx2 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qx2 The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W147 Y188 Y195
Binding residue
(residue number reindexed from 1)		W156 Y197 Y204
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
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:8qx2, PDBe:8qx2, PDBj:8qx2
PDBsum8qx2
PubMed38667766
UniProtQ8WSF8

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