Structure of PDB 8st1 Chain D Binding Site BS01

Receptor Information
>8st1 Chain D (length=375) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMM
TTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDF
AVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWT
YDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDI
TYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLL
SLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHR
SPRTHTMPTWVRRVFLDIVPRLLLMKRPSVVDTDFERSVKEDWKYVAMVI
DRIFLWMFIIVCLLGTVGLFLPPWL
Ligand information
Ligand IDACH
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC[N+](C)(C)C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)OCC[N+](C)(C)C
FormulaC7 H16 N O2
NameACETYLCHOLINE
ChEMBLCHEMBL667
DrugBankDB03128
ZINCZINC000003079336
PDB chain8st1 Chain D Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8st1 Structure of the 3alpha2beta stoichiometry of the human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
Resolution3.41 Å
Binding residue
(original residue number in PDB)		Y100 W156 Y197 C200 Y204
Binding residue
(residue number reindexed from 1)		Y93 W149 Y190 C193 Y197
Annotation score4
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:0022848 acetylcholine-gated monoatomic cation-selective channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0045211 postsynaptic membrane

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Cellular Component
External links
PDB RCSB:8st1, PDBe:8st1, PDBj:8st1
PDBsum8st1
PubMed38454578
UniProtP43681|ACHA4_HUMAN Neuronal acetylcholine receptor subunit alpha-4 (Gene Name=CHRNA4)

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