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Structure of PDB 2y04 Chain A Binding Site BS05

Receptor Information
>2y04 Chain A (length=286) Species: 9103 (Meleagris gallopavo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELLSQQWEAGMSLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITS
LACADLVVGLLVVPFGATLVVRGTWLWGSFLCELWTSLDVLCVTASIETL
CVIAIDRYLAITSPFRYQSLMTRARAKVIICTVWAISALVSFLPIMMHWW
RDEDPQALKCYQDPGCCDFVTNRAYAIASSIISFYIPLLIMIFVALRVYR
EAKEQSRVMLMREHKALKTLGIIMGVFTLCWLPFFLVNIVNVFNRDLVPD
WLFVAFNWLGYANSAMNPIIYCRSPDFRKAFKRLLA
Ligand information
Ligand ID68H
InChIInChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyNDAUXUAQIAJITI-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1
OpenEye OEToolkits 1.6.1CC(C)(C)NCC(c1ccc(c(c1)CO)O)O
CACTVS 3.352CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
OpenEye OEToolkits 1.6.1CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O
FormulaC13 H21 N O3
NameSALBUTAMOL
ChEMBLCHEMBL1002
DrugBankDB13139
ZINCZINC000000007601
PDB chain2y04 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y04 The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Resolution3.05 Å
Binding residue
(original residue number in PDB)		D121 S211 F306 F307 N329
Binding residue
(residue number reindexed from 1)		D89 S179 F234 F235 N257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004935 adrenergic receptor activity
GO:0004940 beta1-adrenergic receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0045823 positive regulation of heart contraction
Cellular Component
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:2y04, PDBe:2y04, PDBj:2y04
PDBsum2y04
PubMed21228877
UniProtP07700|ADRB1_MELGA Beta-1 adrenergic receptor (Gene Name=ADRB1)

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