Structure of PDB 2y01 Chain A Binding Site BS06

Receptor Information
>2y01 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 IDY00
InChIInChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyJRWZLRBJNMZMFE-CYBMUJFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
CACTVS 3.352C[C@H](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
FormulaC18 H23 N O3
NameDOBUTAMINE
ChEMBL
DrugBank
ZINCZINC000000003911
PDB chain2y01 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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PDB2y01 The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Resolution2.6 Å
Binding residue
(original residue number in PDB)		W117 D121 S211 F306 F307 N329 W330
Binding residue
(residue number reindexed from 1)		W85 D89 S179 F234 F235 N257 W258
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2y01, PDBe:2y01, PDBj:2y01
PDBsum2y01
PubMed21228877
UniProtP07700|ADRB1_MELGA Beta-1 adrenergic receptor (Gene Name=ADRB1)

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