Structure of PDB 8st1 Chain B Binding Site BS01

Receptor Information
>8st1 Chain B (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 B 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 Y204
Binding residue
(residue number reindexed from 1)		Y93 W149 Y190 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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