Structure of PDB 3zdg Chain B Binding Site BS02

Receptor Information
>3zdg Chain B (length=201) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKK
G
Ligand information
Ligand IDXRX
InChIInChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyVVGQXMCHKFOTKZ-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(CCOC(=O)N(C)C)N(C)C
CACTVS 3.385C[CH](CCOC(=O)N(C)C)N(C)C
ACDLabs 12.01O=C(OCCC(N(C)C)C)N(C)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C[C@H](CCOC(=O)N(C)C)N(C)C
FormulaC9 H20 N2 O2
Name3-(dimethylamino)butyl dimethylcarbamate
ChEMBLCHEMBL2312568
DrugBank
ZINC
PDB chain3zdg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zdg Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		Y89 W143 T144 Y192
Binding residue
(residue number reindexed from 1)		Y89 W143 T144 Y188
Annotation score1
Binding affinityMOAD: Ki=0.079uM
BindingDB: Ki=79nM
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:3zdg, PDBe:3zdg, PDBj:3zdg
PDBsum3zdg
PubMed23256554
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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