› 7xka

X-ray diffraction
3.1Å resolution

Structure of human beta2 adrenergic receptor bound to constrained epinephrine

Released:
DOI: 10.2210/pdb7xka/pdb
Model geometry
Fit model/data
PDB entry 7xka coloured by chain, front view.
PDB entry 7xka coloured by chain, side view.
PDB entry 7xka coloured by chain, top view.
Source organisms:
Primary publication:
Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics.
Xu X, Shonberg J, Kaindl J, Clark MJ, Stößel A, Maul L, Mayer D, Hübner H, Hirata K, Venkatakrishnan AJ, Dror RO, Kobilka BK, Sunahara RK, Liu X, Gmeiner P
OpenAccess logo Nat Commun 14 2138 (2023)
PMID: 37059717

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:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Beta-2 adrenergic receptor; Endolysin Chain: A
Molecule details ›
Chain: A
Length: 469 amino acids
Theoretical weight: 53.47 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
  • Canonical: P07550 (Residues: 29-348; Coverage: 71%)
Gene names: ADRB2, ADRB2R, B2AR, E
Sequence domains:
Camelid Antibody Fragment Chain: B
Molecule details ›
Chain: B
Length: 120 amino acids
Theoretical weight: 12.95 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda

Ligands and Environments

2 bound ligands:
Ligand G1I 1 x G1I
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SPRING-8 BEAMLINE BL32XU
Spacegroup: P212121
Unit cell:
a: 49.6Å b: 66.56Å c: 302.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.226 0.272
Expression system: Spodoptera frugiperda

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Citations

1 review citation

G protein-coupled receptors (GPCRs): advances in structures, mechanisms, and drug discovery.
Zhang et al. (2024)
3 other articles