Structure of PDB 7dhr Chain R Binding Site BS01

Receptor Information
>7dhr Chain R (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLAVAD
LVMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIWTLVVIAV
DRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRAHQE
AINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQL
QKIDKSEGRFLKEHKALKTLGIIMGTFTLAWLPFFIVNIVHVIQDNLIRK
EVYILLNWIGYVNSGFNPLIYSRSPDFRIAFQEL
Ligand information
Ligand ID5FW
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
InChIKeyJWZZKOKVBUJMES-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)NC[C@@H](c1ccc(c(c1)O)O)O
CACTVS 3.352CC(C)NC[C@H](O)c1ccc(O)c(O)c1
CACTVS 3.352CC(C)NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.6.1CC(C)NCC(c1ccc(c(c1)O)O)O
FormulaC11 H17 N O3
NameISOPRENALINE
ChEMBLCHEMBL1160723
DrugBank
ZINCZINC000000056652
PDB chain7dhr Chain R Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7dhr Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D113 V117 S207 F290 N312
Binding residue
(residue number reindexed from 1)		D84 V88 S177 F235 N257
Annotation score1
Binding affinityBindingDB: Ki=46nM,EC50=1.2nM,Kd=130nM,IC50=0.05nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004935 adrenergic receptor activity
GO:0004941 beta2-adrenergic receptor activity
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:0097746 blood vessel diameter maintenance
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dhr, PDBe:7dhr, PDBj:7dhr
PDBsum7dhr
PubMed
UniProtP07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

[Back to BioLiP]