Structure of PDB 6sh0 Chain I Binding Site BS01

Receptor Information

>6sh0 Chain I (length=211) Species: 6500 (Aplysia californica)

QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKVDSSTNEVDL
VYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVL
SPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGVTCAVKFGSWVYSGF
EIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRERRGNGFF

Ligand information

• Ligand ID: 4P0
• InChI: InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
• InChIKey: SGNXVBOIDPPRJJ-PSASIEDQSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 1.9.2: CC(=O)C1=CCC[C@@H]2CC[C@H]1N2
  ACDLabs 12.01: C(C)(C=1C2CCC(CCC=1)N2)=O
  OpenEye OEToolkits 1.9.2: CC(=O)C1=CCCC2CCC1N2
  CACTVS 3.385: CC(=O)C1=CCC[CH]2CC[CH]1N2
• Formula: C10 H15 N O
• Name: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
• ChEMBL: CHEMBL2332144
• ZINC: ZINC000004098885
• PDB chain: 6sh0 Chain I Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sh0 Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): Y110 W164 C207 Y212
• Binding residue (residue number reindexed from 1): Y91 W145 C188 Y193
• 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:6sh0, PDBe:6sh0, PDBj:6sh0
• PDBsum: 6sh0
• UniProt: Q8WSF8