Structure of PDB 5bp0 Chain C Binding Site BS01

Receptor Information
>5bp0 Chain C (length=208) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKDDDDKLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVN
EITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAI
SKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGS
WTHHSREISVDPSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVE
VSLNFRKK
Ligand information
Ligand IDFN1
InChIInChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
InChIKeyWEACEDDYURLEPK-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1CCC[C@H]1c2cncc(F)c2
CACTVS 3.385CN1CCC[CH]1c2cncc(F)c2
ACDLabs 12.01Fc1cncc(c1)C2CCCN2C
OpenEye OEToolkits 1.9.2CN1CCCC1c2cc(cnc2)F
OpenEye OEToolkits 1.9.2CN1CCC[C@H]1c2cc(cnc2)F
FormulaC10 H13 F N2
Name5-fluoronicotine;
3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
ChEMBL
DrugBank
ZINCZINC000003633880
PDB chain5bp0 Chain B 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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PDB5bp0 Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W53 M114
Binding residue
(residue number reindexed from 1)		W61 M122
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:5bp0, PDBe:5bp0, PDBj:5bp0
PDBsum5bp0
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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