Structure of PDB 6sgv Chain E Binding Site BS01

Receptor Information

>6sgv Chain E (length=205) Species: 6500 (Aplysia californica)

QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKVDSSTNEVDL
VYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVL
SPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGVTCAVKFGSWVYSGF
EIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER

Ligand information

• Ligand ID: LDQ
• InChI: InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1
• InChIKey: PDPSDBUFNKLMBE-FPVNZWGXSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3
  CACTVS 3.385: C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13
  OpenEye OEToolkits 2.0.7: C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3
  CACTVS 3.385: C[C@@H]1C[C@@H]2[C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13
• Formula: C15 H20 N2 O
• Name: Hosieine
• PDB chain: 6sgv Chain E Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sgv Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): Y110 W164 V165 Y205 C207 C208 Y212
• Binding residue (residue number reindexed from 1): Y91 W145 V146 Y186 C188 C189 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:6sgv, PDBe:6sgv, PDBj:6sgv
• PDBsum: 6sgv
• UniProt: Q8WSF8