› 3nya

X-ray diffraction
3.16Å resolution

Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol

Released:
DOI: 10.2210/pdb3nya/pdb
PDB entry 3nya coloured by chain, front view.
PDB entry 3nya coloured by chain, side view.
PDB entry 3nya coloured by chain, top view.
Source organisms:
Primary publication:
Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography.
Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC
J Am Chem Soc 132 11443-5 (2010)
PMID: 20669948

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132941 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-2 adrenergic receptor; Endolysin Chain: A
Molecule details ›
Chain: A
Length: 490 amino acids
Theoretical weight: 55.96 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P07550 (Residues: 1-230, 264-348; Coverage: 76%)
  • Canonical: P00720 (Residues: 2-162; Coverage: 98%)
Gene names: ADRB2, ADRB2R, B2AR, E
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CLR 2 x CLR
Ligand JTZ 1 x JTZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 40.577Å b: 75.73Å c: 173.403Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.232 0.29
Expression system: Spodoptera frugiperda

Quick links

Citations

38 review citations

How were new medicines discovered?
Swinney et al. (2011)
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74 mentions without citation

Structure-function of the G protein-coupled receptor superfamily.
Katritch et al. (2013)
73 more