› 5iua

X-ray diffraction
2.2Å resolution

Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution

Released:
DOI: 10.2210/pdb5iua/pdb
PDB entry 5iua coloured by chain, front view.
PDB entry 5iua coloured by chain, side view.
PDB entry 5iua coloured by chain, top view.
Source organisms:
Primary publication:
Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Doré AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM
J Med Chem 59 6470-9 (2016)
PMID: 27312113

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: 433 amino acids
Theoretical weight: 48 KDa
Source organisms: Expression system: Trichoplusia ni
UniProt:
  • Canonical: P29274 (Residues: 2-208, 219-315; Coverage: 74%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: ADORA2, ADORA2A, cybC
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand NA 1 x NA
Ligand 6DX 1 x 6DX
Ligand CLR 4 x CLR
Ligand OLA 17 x OLA
Ligand OLB 8 x OLB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2221
Unit cell:
a: 39.56Å b: 179.979Å c: 139.924Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.233
Expression system: Trichoplusia ni

Quick links

Citations

14 review citations

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.
Schuetz et al. (2017)
13 more

14 mentions without citation

Structural Basis for G Protein-Coupled Receptor Activation.
Manglik et al. (2017)
13 more