Structure of PDB 7ql6 Chain A Binding Site BS02

Receptor Information
>7ql6 Chain A (length=385) Species: 7787 (Tetronarce californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEHETRLVANLLENYNKVIRPVEHHTHFVDITVGLQLIQLISVDEVNQIV
ETNVRLRQQWIDVRLRWNPADYGGIKKIRLPSDDVWLPDLVLYNNADGDF
AIVHMTKLLLDYTGKIMWTPPAIFKSYCEIIVTHFPFDQQNCTMKLGIWT
YDGTKVSISPESDRPDLSTFMESGEWVMKDYRGWKHWVYYTCCPDTPYLD
ITYHFIMQRIPLYFVVNVIIPCLLFSFLTGLVFYLPTDSGEKMTLSISVL
LSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMIFVISSIIITVVVINTHH
RSPSTHTMPQWVRKIFIDTIPNVMFFSTMGVKYIAEHMKSDEESSNAAEE
WKYVAMVIDHILLCVFMLICIIGTVSVFAGRLIEL
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 chain7ql6 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ql6 Conformational transitions and ligand-binding to a muscle-type nicotinic acetylcholine receptor.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		Y93 W149 Y190 Y198
Binding residue
(residue number reindexed from 1)		Y93 W149 Y190 Y198
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:0022848 acetylcholine-gated monoatomic cation-selective 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:0005886 plasma membrane
GO:0016020 membrane
GO:0043005 neuron projection
GO:0045202 synapse
GO:0045211 postsynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ql6, PDBe:7ql6, PDBj:7ql6
PDBsum7ql6
PubMed35139364
UniProtP02710|ACHA_TETCF Acetylcholine receptor subunit alpha (Gene Name=CHRNA1)

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