Structure of PDB 8qtl Chain C Binding Site BS01

Receptor Information

>8qtl Chain C (length=210) Species: 6500 (Aplysia californica)

DKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSST
NEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTR
PVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSW
VYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYID
VNLVVKFRER

Ligand information

• Ligand ID: WSP
• InChI: InChI=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-/m0/s1
• InChIKey: NFGZUBPFTHPCRY-LBPRGKRZSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1=NCCCC12CCCCC23OCCO3
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: CC1=NCCC[C@@]12CCCCC23OCCO3
  CACTVS 3.385: CC1=NCCC[C]12CCCCC23OCCO3
• Formula: C13 H21 N O2
• Name: Spiroimine (-)-4 S;
  (6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene;
  (S)-(-)-Spiroimine
• PDB chain: 8qtl Chain C Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qtl The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): Y93 W147 Y188 Y195
• Binding residue (residue number reindexed from 1): Y96 W150 Y191 Y198
• Annotation score: 1

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

External links

• PDB: RCSB:8qtl, PDBe:8qtl, PDBj:8qtl
• PDBsum: 8qtl
• PubMed: 38667766
• UniProt: Q8WSF8