Structure of PDB 3zdh Chain A Binding Site BS02

Receptor Information
>3zdh Chain A (length=200) 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
Ligand information
Ligand IDXRS
InChIInChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
InChIKeyVPQCJEWNIYWNLE-SECBINFHSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(c1nccn1C)CCC(N(C)C)C
OpenEye OEToolkits 1.9.2CC(CCOc1nccn1C)N(C)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C[C@H](CCOc1nccn1C)N(C)C
CACTVS 3.385C[CH](CCOc1nccn1C)N(C)C
FormulaC10 H19 N3 O
Name(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
ChEMBLCHEMBL2312565
DrugBank
ZINCZINC000095594541
PDB chain3zdh Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3zdh Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
Resolution2.195 Å
Binding residue
(original residue number in PDB)		W53 R104
Binding residue
(residue number reindexed from 1)		W53 R104
Annotation score1
Binding affinityMOAD: Ki=0.045uM
PDBbind-CN: -logKd/Ki=7.35,Ki=45nM
BindingDB: Ki=45nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zdh, PDBe:3zdh, PDBj:3zdh
PDBsum3zdh
PubMed23256554
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

[Back to BioLiP]