Structure of PDB 4zjt Chain J Binding Site BS01

Receptor Information
>4zjt Chain J (length=211) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDDDDKLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEI
TNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISK
PEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWT
HHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYED
VEVSLNFRKKG
Ligand information
Ligand ID4P6
InChIInChI=1S/C15H14N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11H,2,4,8H2/b12-10+
InChIKeyMYYXDAYQWWIEQW-ZRDIBKRKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3
CACTVS 3.385C1CN=C(C(C1)=Cc2sccc2)c3cccnc3
CACTVS 3.385C1CN=C(\C(C1)=C\c2sccc2)c3cccnc3
ACDLabs 12.01c1cncc(c1)C=2/C(CCCN=2)=C/c3cccs3
OpenEye OEToolkits 1.9.2c1cc(cnc1)C2=NCCCC2=Cc3cccs3
FormulaC15 H14 N2 S
Name(3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine;
2-thiophenylmethylene anabaseine
ChEMBL
DrugBank
ZINCZINC000034646060
PDB chain4zjt Chain I Residue 303 [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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PDB4zjt X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB)
Resolution1.85 Å
Binding residue
(original residue number in PDB)		L112 M114
Binding residue
(residue number reindexed from 1)		L118 M120
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:4zjt, PDBe:4zjt, PDBj:4zjt
PDBsum4zjt
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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