Structure of PDB 4ldo Chain A Binding Site BS02

Receptor Information
>4ldo Chain A (length=454) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAENLYFQGNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAA
KSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLD
AVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQT
PNRAKRVITTFRTGTWDAYAADEVWVVGMGIVMSLIVLAIVFGNVLVITA
IAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCE
FWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMV
WIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVS
FYVPLVIMVFVYSRVFQEAKRQLQKFALKEHKALKTLGIIMGTFTLCWLP
FFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQE
LLCL
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 chain4ldo Chain A Residue 1402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ldo Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D1113 S1203 F1289 N1312 Y1316
Binding residue
(residue number reindexed from 1)		D256 S346 F401 N424 Y428
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E876 D885
Catalytic site (residue number reindexed from 1) E19 D28
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0004941 beta2-adrenergic receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0006940 regulation of smooth muscle contraction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating 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
GO:0097746 blood vessel diameter maintenance
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:4ldo, PDBe:4ldo, PDBj:4ldo
PDBsum4ldo
PubMed24056936
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

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