Structure of PDB 2wnl Chain J Binding Site BS02

Receptor Information

>2wnl Chain J (length=212) Species: 6500 (Aplysia californica)

DKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSST
NEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTR
PVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSW
VYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYID
VNLVVKFRERRA

Ligand information

• Ligand ID: AN4
• InChI: InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
• InChIKey: AUBPMADJYNSPOA-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.6.1: c1cc(cnc1)C2=NCCCC2
  CACTVS 3.352: C1CCC(=NC1)c2cccnc2
  ACDLabs 10.04: n2cc(C1=NCCCC1)ccc2
• Formula: C10 H12 N2
• Name: 3,4,5,6-tetrahydro-2,3'-bipyridine;
  anabaseine
• ChEMBL: CHEMBL1230982
• ZINC: ZINC000014722833
• PDB chain: 2wnl Chain J Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wnl Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): W147 Y188 C190
• Binding residue (residue number reindexed from 1): W150 Y191 C193
• 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:2wnl, PDBe:2wnl, PDBj:2wnl
• PDBsum: 2wnl
• PubMed: 19696737
• UniProt: Q8WSF8