Structure of PDB 8f6y Chain A Binding Site BS01

Receptor Information
>8f6y Chain A (length=387) 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
RSPSTHTMPQWVRKIFIDTIPNVMFFSTMKPDVKSAIEGVKYIAEHMKSD
EESSNAAEEWKYVAMVIDHILLCVFMLICIIGTVSVF
Ligand information
Ligand IDV8D
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyNPUKDXXFDDZOKR-LLVKDONJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1cncn1[CH](C)c2ccccc2
OpenEye OEToolkits 2.0.7CCOC(=O)c1cncn1C(C)c2ccccc2
ACDLabs 12.01C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)c1cncn1[C@H](C)c2ccccc2
FormulaC14 H16 N2 O2
NameEtomidate
ChEMBLCHEMBL681
DrugBankDB00292
ZINCZINC000000001408
PDB chain8f6y 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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PDB8f6y Structural interplay of anesthetics and paralytics on muscle nicotinic receptors.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		S226 F284 F414 I417 C418
Binding residue
(residue number reindexed from 1)		S226 F284 F375 I378 C379
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:8f6y, PDBe:8f6y, PDBj:8f6y
PDBsum8f6y
PubMed37264005
UniProtP02710|ACHA_TETCF Acetylcholine receptor subunit alpha (Gene Name=CHRNA1)

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