Structure of PDB 1uv6 Chain D Binding Site BS02

Receptor Information
>1uv6 Chain D (length=205) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLN
FRKKG
Ligand information
Ligand IDCCE
InChIInChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChIKeyVPJXQGSRWJZDOB-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC[N+](C)(C)C)N
CACTVS 3.341C[N+](C)(C)CCOC(N)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOC(=O)N
FormulaC6 H15 N2 O2
Name2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM;
CARBAMYL-CHOLINE
ChEMBLCHEMBL965
DrugBankDB00411
ZINCZINC000003079342
PDB chain1uv6 Chain D Residue 1206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uv6 Nicotine and Carbamylcholine Binding to Nicotinic Acetylcholine Receptors as Studied in Achbp Crystal Structures
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y89 W143 Y185 C187 Y192
Binding residue
(residue number reindexed from 1)		Y89 W143 Y185 C187 Y192
Annotation score1
Binding affinityMOAD: Kd=7575nM
PDBbind-CN: -logKd/Ki=5.12,Kd=7575nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:1uv6, PDBe:1uv6, PDBj:1uv6
PDBsum1uv6
PubMed15046723
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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