Structure of PDB 8thl Chain R Binding Site BS01

Receptor Information
>8thl Chain R (length=244) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPF
SAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPL
RYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEP
GYVLFSALGSFYLPLAIILVMYCRVYVVAKRESKKAAKTLGIVVGCFVLC
WLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPC
Ligand information
Ligand IDALE
InChIInChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChIKeyUCTWMZQNUQWSLP-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CNC[C@@H](c1ccc(c(c1)O)O)O
OpenEye OEToolkits 1.7.6CNCC(c1ccc(c(c1)O)O)O
CACTVS 3.370CNC[C@H](O)c1ccc(O)c(O)c1
CACTVS 3.370CNC[CH](O)c1ccc(O)c(O)c1
ACDLabs 12.01Oc1ccc(cc1O)C(O)CNC
FormulaC9 H13 N O3
NameL-EPINEPHRINE;
ADRENALINE
ChEMBLCHEMBL679
DrugBankDB00668
ZINCZINC000000039089
PDB chain8thl Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8thl Structural basis of agonist specificity of alpha 1A-adrenergic receptor
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D106 V107 C110 S188 F289 F312 Y316
Binding residue
(residue number reindexed from 1)		D74 V75 C78 S156 F205 F228 Y232
Annotation score4
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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Biological Process
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Cellular Component
External links
PDB RCSB:8thl, PDBe:8thl, PDBj:8thl
PDBsum8thl
PubMed37563160
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P35348

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