› 5uig

X-ray diffraction
3.5Å resolution

Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist

Released:
DOI: 10.2210/pdb5uig/pdb
PDB entry 5uig coloured by chain, front view.
PDB entry 5uig coloured by chain, side view.
PDB entry 5uig coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of the adenosine A2A receptor bound to an antagonist reveals a potential allosteric pocket.
Sun B, Bachhawat P, Chu ML, Wood M, Ceska T, Sands ZA, Mercier J, Lebon F, Kobilka TS, Kobilka BK
Proc Natl Acad Sci U S A 114 2066-2071 (2017)
PMID: 28167788

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-142061 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A2a; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 444 amino acids
Theoretical weight: 49.54 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29274 (Residues: 1-208, 219-316; Coverage: 74%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: ADORA2, ADORA2A, cybC
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand EDT 1 x EDT
Ligand MES 1 x MES
Ligand 8D1 1 x 8D1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P41212
Unit cell:
a: 131.222Å b: 131.222Å c: 89.714Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.277 0.276 0.299
Expression system: Spodoptera frugiperda

Quick links

Citations

19 review citations

Pharmacology of Adenosine Receptors: The State of the Art.
Borea et al. (2018)
18 more

24 mentions without citation

Structural Basis for G Protein-Coupled Receptor Activation.
Manglik et al. (2017)
23 more