› 7aro

X-ray diffraction
3.12Å resolution

Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor

Released:
DOI: 10.2210/pdb7aro/pdb
PDB entry 7aro coloured by chain, front view.
PDB entry 7aro coloured by chain, side view.
PDB entry 7aro coloured by chain, top view.
Source organisms:
Primary publication:
Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A2A Receptor.
Amelia T, van Veldhoven JPD, Falsini M, Liu R, Heitman LH, van Westen GJP, Segala E, Verdon G, Cheng RKY, Cooke RM, van der Es D, IJzerman AP
J Med Chem 64 3827-3842 (2021)
PMID: 33764785

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-142062 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A2a; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 433 amino acids
Theoretical weight: 48 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29274 (Residues: 2-208, 219-317; Coverage: 74%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: ADORA2, ADORA2A, cybC
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand RVZ 1 x RVZ
Ligand OLA 4 x OLA
Ligand CLR 1 x CLR
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2221
Unit cell:
a: 39.541Å b: 181.027Å c: 140.853Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.223 0.254
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

The Pharmacological Potential of Adenosine A2A Receptor Antagonists for Treating Parkinson's Disease.
Mori et al. (2022)
1 more

10 mentions without citation

International Union of Basic and Clinical Pharmacology. CXII: Adenosine Receptors: A Further Update.
IJzerman et al. (2022)
9 more