› 5uen

X-ray diffraction
3.2Å resolution

Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution

Released:
DOI: 10.2210/pdb5uen/pdb
PDB entry 5uen coloured by chain, front view.
PDB entry 5uen coloured by chain, side view.
PDB entry 5uen coloured by chain, top view.
Source organisms:
Primary publication:
Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity.
Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jörg M, Scammells PJ, May LT, Sexton PM, Christopoulos A
Cell 168 867-877.e13 (2017)
PMID: 28235198

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142064 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A1; Soluble cytochrome b562 Chains: A, B
Molecule details ›
Chains: A, B
Length: 416 amino acids
Theoretical weight: 46.56 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P30542 (Residues: 2-211, 228-311; Coverage: 90%)
  • Canonical: P0ABE7 (Residues: 23-127; Coverage: 99%)
Gene names: ADORA1, cybC
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand DU1 2 x DU1
Ligand OLA 7 x OLA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Unit cell:
a: 96.492Å b: 112.96Å c: 124.171Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.288 0.286 0.316
Expression system: Spodoptera frugiperda

Quick links

Citations

20 review citations

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

55 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
54 more