› 5n2s

X-ray diffraction
3.3Å resolution

Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution

Released:
DOI: 10.2210/pdb5n2s/pdb
PDB entry 5n2s coloured by chain, front view.
PDB entry 5n2s coloured by chain, side view.
PDB entry 5n2s coloured by chain, top view.
Source organisms:
Primary publication:
Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Cheng RKY, Segala E, Robertson N, Deflorian F, Doré AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM
Structure 25 1275-1285.e4 (2017)
PMID: 28712806

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142063 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A1; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 436 amino acids
Theoretical weight: 48.45 KDa
Source organisms: Expression system: Trichoplusia ni
UniProt:
  • Canonical: P0ABE7 (Residues: 22-127; Coverage: 99%)
  • Canonical: P30542 (Residues: 4-316; Coverage: 96%)
Gene names: ADORA1, cybC
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand 8K8 1 x 8K8
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C222
Unit cell:
a: 70.273Å b: 111.658Å c: 160.543Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.257 0.256 0.278
Expression system: Trichoplusia ni

Quick links

Citations

16 review citations

Focusing on Adenosine Receptors as a Potential Targeted Therapy in Human Diseases.
Effendi et al. (2020)
15 more

34 mentions without citation

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