Structure of PDB 3wti Chain E Binding Site BS02

Receptor Information
>3wti Chain E (length=208) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVD
VVFWQRTTWSDRTLAWDSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLT
PQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSRE
ISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSL
NFRKKGRS
Ligand information
Ligand IDCT4
InChIInChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKeyPGOOBECODWQEAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl
CACTVS 3.341CNC(/NCc1sc(Cl)nc1)=N\[N+]([O-])=O
CACTVS 3.341CNC(NCc1sc(Cl)nc1)=N[N+]([O-])=O
OpenEye OEToolkits 1.5.0CNC(=N[N+](=O)[O-])NCc1cnc(s1)Cl
ACDLabs 10.04Clc1ncc(s1)CN/C(=N/[N+]([O-])=O)NC
FormulaC6 H8 Cl N5 O2 S
Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
ChEMBLCHEMBL259727
DrugBank
ZINCZINC000013827936
PDB chain3wti 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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PDB3wti Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions
Resolution2.68 Å
Binding residue
(original residue number in PDB)		W143 Y185 C187 Y192
Binding residue
(residue number reindexed from 1)		W144 Y186 C188 Y193
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:3wti, PDBe:3wti, PDBj:3wti
PDBsum3wti
PubMed25267717
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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