Structure of PDB 4zk1 Chain D Binding Site BS02

Receptor Information
>4zk1 Chain D (length=210) 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
VEVSLNFRKK
Ligand information
Ligand ID4P7
InChIInChI=1S/C15H15N3/c1-4-14(11-16-6-1)15-13(3-2-7-18-15)9-12-5-8-17-10-12/h1,4-6,8-11,17H,2-3,7H2/b13-9+
InChIKeyLCDAAPCYCXHGRV-UKTHLTGXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1CN=C(C(C1)=Cc2c[nH]cc2)c3cccnc3
ACDLabs 12.01c1cc(cnc1)C=3\C(=C\c2ccnc2)CCCN=3
OpenEye OEToolkits 1.9.2c1cc(cnc1)C2=NCCCC2=Cc3cc[nH]c3
OpenEye OEToolkits 1.9.2c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3
CACTVS 3.385C1CN=C(\C(C1)=C\c2c[nH]cc2)c3cccnc3
FormulaC15 H15 N3
Name(3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine;
3-pyrrolylmethylene anabaseine
ChEMBLCHEMBL507147
DrugBank
ZINCZINC000040977641
PDB chain4zk1 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zk1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine
Resolution1.75 Å
Binding residue
(original residue number in PDB)		W143 Y185 C187 Y192
Binding residue
(residue number reindexed from 1)		W149 Y191 C193 Y198
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:4zk1, PDBe:4zk1, PDBj:4zk1
PDBsum4zk1
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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