Structure of PDB 6wjc Chain A Binding Site BS04

Receptor Information
>6wjc Chain A (length=445) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLS
LACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASQARVMNL
LLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQY
LVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETE
NRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKA
IGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAL
INMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRV
ITTFRTGTWDAYFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCK
DCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRW
Ligand information
Ligand IDOIN
InChIInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyRKUNBYITZUJHSG-QKPAOTATSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO
OpenEye OEToolkits 1.5.0CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
CACTVS 3.341CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3ccccc3
FormulaC17 H23 N O3
Name(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE;
ATROPINE
ChEMBLCHEMBL1234973
DrugBank
ZINCZINC000100068360
PDB chain6wjc Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wjc Structure and selectivity engineering of the M1muscarinic receptor toxin complex.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D105 Y106 S109 A193 W378 Y381 N382 Y404
Binding residue
(residue number reindexed from 1)		D89 Y90 S93 A177 W386 Y389 N390 Y412
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016907 G protein-coupled acetylcholine receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0040012 regulation of locomotion
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
GO:0046541 saliva secretion
GO:0050890 cognition
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wjc, PDBe:6wjc, PDBj:6wjc
PDBsum6wjc
PubMed32646996
UniProtD9IEF7;
P11229|ACM1_HUMAN Muscarinic acetylcholine receptor M1 (Gene Name=CHRM1)

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