Structure of PDB 4zr6 Chain A Binding Site BS02

Receptor Information
>4zr6 Chain A (length=195) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRADILYNIRQTSRPDVIPTRPVAVSVSLKFINILEVNEITNEVDVVFWQ
QTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLAR
VVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDP
TDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKK
Ligand information
Ligand ID4QW
InChIInChI=1S/C14H14N4/c1-18-10-16-9-13(18)7-11-4-6-17-14(11)12-3-2-5-15-8-12/h2-3,5,7-10H,4,6H2,1H3/b11-7+
InChIKeyJNBFHHNJEVTWBO-YRNVUSSQSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C3N=C(c1cccnc1)C(=[C@H]c2n(C)cnc2)C3
OpenEye OEToolkits 1.9.2Cn1cncc1/C=C/2\CCN=C2c3cccnc3
CACTVS 3.385Cn1cncc1\C=C2/CCN=C2c3cccnc3
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cn1cncc1C=C2CCN=C2c3cccnc3
FormulaC14 H14 N4
Name3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine
ChEMBL
DrugBank
ZINCZINC000584904920
PDB chain4zr6 Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zr6 Structure-guided design and analysis of arylidene anabaseines and myosmines
Resolution2.6 Å
Binding residue
(original residue number in PDB)		W53 L112 M114
Binding residue
(residue number reindexed from 1)		W49 L108 M110
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:4zr6, PDBe:4zr6, PDBj:4zr6
PDBsum4zr6
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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