Structure of PDB 5a8e Chain A Binding Site BS02

Receptor Information
>5a8e Chain A (length=285) Species: 9103 (Meleagris gallopavo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSQQWEAGMSLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITSLAC
ADLVVGLLVVPFGATLVVRGTWLWGSFLCELWTSLDVLCVTASVWTLCVI
AIDRYLAITSPFRYQSLMTRARAKVIICTVWAISALVSFLPIMMHWWRDE
DPQALKCYQDPGCCDFVTNRAYAIASSIISFYIPLLIMIFVALRVYREAK
EQIRKRKTSRVMLMREHKALKTLGIIMGVFTLCWLPFFLVNIVNVFNRDL
VPDWLFVAFNWLGYANSAMNPIILCRSPDFRKAFK
Ligand information
Ligand IDMHA
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)CN(CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)N)N(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CN(CC(=O)N)CC(=O)O
FormulaC6 H10 N2 O5
Name(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID;
N-(2-ACETAMIDO)IMINODIACETIC ACID
ChEMBL
DrugBankDB02810
ZINCZINC000002545127
PDB chain5a8e Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a8e Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G110 S111 P196
Binding residue
(residue number reindexed from 1)		G75 S76 P161
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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Biological Process
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Cellular Component
External links
PDB RCSB:5a8e, PDBe:5a8e, PDBj:5a8e
PDBsum5a8e
PubMed26385885
UniProtP07700|ADRB1_MELGA Beta-1 adrenergic receptor (Gene Name=ADRB1)

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