Structure of PDB 6h7m Chain A Binding Site BS04

Receptor Information
>6h7m Chain A (length=291) Species: 9103 (Meleagris gallopavo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAKVMSLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITSLACADLV
VGLLVVPFGATLVVRGTWLWGSFLCELWTSLDVLCVTASIETLCVIAIDR
YLAITSPFRYQSLMTRARAKVIICTVWAISALVSFLPIMMHWWRDEDPQA
LKCYQDPGCCDFVTNRAYAIASSIISFYIPLLIMIFVYLRVYREAKEQIR
KIDRASKRKTSRVMAMKEHKALKTLGIIMGVFTLCWLPFFLVNIVNVFNR
DLVPDWLFVAFNWLGYANSAMNPIIYCRSPDFRKAFKRLLA
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 chain6h7m Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h7m Molecular basis for high-affinity agonist binding in GPCRs.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		D121 V122 F201 S211 S215 F306 F307 N329
Binding residue
(residue number reindexed from 1)		D82 V83 F162 S172 S176 F239 F240 N262
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.80,Ki=15.8nM
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:6h7m, PDBe:6h7m, PDBj:6h7m
PDBsum6h7m
PubMed31072904
UniProtP07700|ADRB1_MELGA Beta-1 adrenergic receptor (Gene Name=ADRB1)

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