Structure of PDB 5y2q Chain C Binding Site BS02

Receptor Information
>5y2q Chain C (length=200) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVV
FWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQ
LARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREIS
VDPTTDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKK
Ligand information
Ligand ID8L3
InChIInChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
InChIKeyDFIMBYYXCVFOEJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.385Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl
FormulaC18 H20 Cl2 N2 O
Name3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
ChEMBLCHEMBL4559828
DrugBank
ZINC
PDB chain5y2q Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5y2q X-ray structure of acetylcholine binding protein (AChBP) complexed with a small molecule
Resolution2.363 Å
Binding residue
(original residue number in PDB)		Y89 W143 Y185 C187 C188 Y192
Binding residue
(residue number reindexed from 1)		Y88 W142 Y181 C183 C184 Y188
Annotation score1
Binding affinityBindingDB: Ki=72nM,IC50=106nM
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:5y2q, PDBe:5y2q, PDBj:5y2q
PDBsum5y2q
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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