Structure of PDB 6oik Chain R Binding Site BS01

Receptor Information
>6oik Chain R (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACAD
LIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISF
DRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVR
TVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKP
SREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLC
YINSTINPACYALCNATFKKTFKHLLMC
Ligand information
Ligand IDIXO
InChIInChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
InChIKeyWXXOCGISBCTWPW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(#CCOC1=NOCC1)C[N+](C)(C)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		C[N+](C)(C)CC#CCOC1=NOCC1
FormulaC10 H17 N2 O2
Name4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium;
Iperoxo
ChEMBLCHEMBL3121473
DrugBank
ZINC
PDB chain6oik Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oik Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y104 S107 N108 A194 F195 W400 Y403 Y426 C429 Y430
Binding residue
(residue number reindexed from 1)		Y85 S88 N89 A175 F176 W221 Y224 Y247 C250 Y251
Annotation score1
Binding affinityBindingDB: Ki=8.7nM,EC50=0.280000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0016907 G protein-coupled acetylcholine receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
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:6oik, PDBe:6oik, PDBj:6oik
PDBsum6oik
PubMed31073061
UniProtP08172|ACM2_HUMAN Muscarinic acetylcholine receptor M2 (Gene Name=CHRM2)

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