› 5om1

X-ray diffraction
2.1Å resolution

Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak).

Released:
DOI: 10.2210/pdb5om1/pdb
PDB entry 5om1 coloured by chain, front view.
PDB entry 5om1 coloured by chain, side view.
PDB entry 5om1 coloured by chain, top view.
Source organisms:
Primary publication:
Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS
Sci Rep 8 41 (2018)
PMID: 29311713

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: 434 amino acids
Theoretical weight: 48.07 KDa
Source organisms: Expression system: Trichoplusia ni
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

6 bound ligands:
Ligand T4E 1 x T4E
Ligand NA 1 x NA
Ligand OLA 14 x OLA
Ligand CLR 4 x CLR
Ligand OLC 12 x OLC
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2221
Unit cell:
a: 39.537Å b: 179.854Å c: 140.323Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.188 0.21
Expression system: Trichoplusia ni

Quick links

Citations

8 review citations

Adenosine A2A receptor antagonists: from caffeine to selective non-xanthines.
Jacobson et al. (2022)
7 more

9 mentions without citation

Harnessing Ion-Binding Sites for GPCR Pharmacology.
Zarzycka et al. (2019)
8 more