Structure of PDB 6ol9 Chain A Binding Site BS01

Receptor Information
>6ol9 Chain A (length=416) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACA
DLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNARVMNLLVIS
FDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGK
RTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTN
IFEMLRIDEGLRLKIYKDTEGYYTIGIGHLTKDEAEKLFNQDVDAAVRGI
LRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDE
AAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYRVVLVKERKAAQTLSAI
LLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYAL
CNRTFRKTFKMLLLCR
Ligand information
Ligand ID0HK
InChIInChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+
InChIKeyLERNTVKEWCAPOY-DZZGSBJMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C
OpenEye OEToolkits 1.7.6C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C
ACDLabs 12.01O=C(OC3CC1[N+](C)(C)C(C2OC12)C3)C(O)(c4sccc4)c5sccc5
CACTVS 3.370C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4sccc4)c5sccc5
CACTVS 3.370C[N+]1(C)[CH]2CC(C[CH]1[CH]3O[CH]23)OC(=O)C(O)(c4sccc4)c5sccc5
FormulaC19 H22 N O4 S2
Name(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane;
Tiotropium
ChEMBLCHEMBL1900528
DrugBankDB01409
ZINCZINC000100008319
PDB chain6ol9 Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ol9 Crystal structure of the M5muscarinic acetylcholine receptor.
Resolution2.541 Å
Binding residue
(original residue number in PDB)		Y111 S114 T194 T197 A198 A201 W455 Y458 N459 Y481 C484
Binding residue
(residue number reindexed from 1)		Y86 S89 T169 T172 A173 A176 W358 Y361 N362 Y384 C387
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
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:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
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:6ol9, PDBe:6ol9, PDBj:6ol9
PDBsum6ol9
PubMed31772027
UniProtD9IEF7;
P08912

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