Structure of PDB 4zk4 Chain A Binding Site BS01

Receptor Information
>4zk4 Chain A (length=211) Species: 6500,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDDKLHSQANLMRLKSDLFNYPGPTKDDPLTVTLGFTLQDIVKADSSTNE
VDLVYWEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPV
QVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVY
SGFEIDLKTDTDQVDLSSYYASSKYEILSATQYKHDIKYNCCEEIYPDVV
LVVKFRERRAG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4zk4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zk4 Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane.
Resolution1.901 Å
Binding residue
(original residue number in PDB)		D-3 H1
Binding residue
(residue number reindexed from 1)		D2 H6
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zk4, PDBe:4zk4, PDBj:4zk4
PDBsum4zk4
PubMed
UniProtP32297|ACHA3_HUMAN Neuronal acetylcholine receptor subunit alpha-3 (Gene Name=CHRNA3);
Q8WSF8

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