Structure of PDB 7trp Chain R Binding Site BS02

Receptor Information
>7trp Chain R (length=267) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIG
AFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYF
CVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPD
NQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVAARERK
VTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNST
INPACYALCNATFKKTF
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 chain7trp Chain R Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7trp Structural and dynamic mechanisms of allostery at the M4 muscarinic acetylcholine receptor
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D112 Y113 S116 N117 A203 W413 Y416 N417 Y439
Binding residue
(residue number reindexed from 1)		D80 Y81 S84 N85 A171 W216 Y219 N220 Y242
Annotation score1
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
GO:0040012 regulation of locomotion
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:7trp, PDBe:7trp, PDBj:7trp
PDBsum7trp
PubMed
UniProtP08173|ACM4_HUMAN Muscarinic acetylcholine receptor M4 (Gene Name=CHRM4)

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