› 7px4

X-ray diffraction
2.25Å resolution

Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113

Released:
DOI: 10.2210/pdb7px4/pdb
PDB entry 7px4 coloured by chain, front view.
PDB entry 7px4 coloured by chain, side view.
PDB entry 7px4 coloured by chain, top view.
Source organisms:
Primary publication:
Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A2A Receptor with Preladenant Conjugates.
Claff T, Klapschinski TA, Tiruttani Subhramanyam UK, Vaaßen VJ, Schlegel JG, Vielmuth C, Voß JH, Labahn J, Müller CE
Angew Chem Int Ed Engl 61 e202115545 (2022)
PMID: 35174942

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-142061 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A2a; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 447 amino acids
Theoretical weight: 50.02 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29274 (Residues: 2-208, 219-316; Coverage: 74%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: ADORA2, ADORA2A, cybC
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand CLR 3 x CLR
Ligand 8E2 1 x 8E2
Ligand OLA 26 x OLA
Ligand OLC 3 x OLC
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: C2221
Unit cell:
a: 39.6Å b: 180.262Å c: 139.483Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.24
Expression system: Spodoptera frugiperda

Quick links

Citations

5 citation in other articles

Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A2A Receptor with Preladenant Conjugates.
Claff et al. (2022)
4 more

2 mentions without citation

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor.
Buigues et al. (2023)
1 more