Structure of PDB 4nzb Chain A Binding Site BS01

Receptor Information
>4nzb Chain A (length=198) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKK
Ligand information
Ligand IDNSE
InChIInChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
InChIKeyHGFXDSQLRSWUBO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N
CACTVS 3.385N#Cc1cccc(c1)c2onc(n2)c3cccnc3
ACDLabs 12.01N#Cc3cccc(c1nc(no1)c2cnccc2)c3
FormulaC14 H8 N4 O
Name3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;
NS9283
ChEMBLCHEMBL3103988
DrugBank
ZINCZINC000078938112
PDB chain4nzb Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4nzb Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		W53 M114
Binding residue
(residue number reindexed from 1)		W53 M114
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
GO:0005231 excitatory extracellular ligand-gated monoatomic ion channel activity
GO:1904315 transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential
Biological Process
GO:0006811 monoatomic ion transport
GO:0007165 signal transduction
GO:0007268 chemical synaptic transmission
GO:0034220 monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0050877 nervous system process
GO:0060078 regulation of postsynaptic membrane potential
GO:0060079 excitatory postsynaptic potential
Cellular Component
GO:0005576 extracellular region
GO:0016020 membrane
GO:0043005 neuron projection
GO:0043083 synaptic cleft
GO:0045202 synapse
GO:0098794 postsynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nzb, PDBe:4nzb, PDBj:4nzb
PDBsum4nzb
PubMed24982426
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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