› 5k2d

X-ray diffraction
1.9Å resolution

1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data

Released:
DOI: 10.2210/pdb5k2d/pdb
PDB entry 5k2d coloured by chain, front view.
PDB entry 5k2d coloured by chain, side view.
PDB entry 5k2d coloured by chain, top view.
Source organisms:
Primary publication:
Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V
Sci Adv 2 e1600292 (2016)
PMID: 27679816

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: 49.97 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

7 bound ligands:
Ligand ZMA 1 x ZMA
Ligand NA 1 x NA
Ligand CLR 3 x CLR
Ligand OLB 2 x OLB
Ligand OLC 8 x OLC
Ligand OLA 11 x OLA
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: C2221
Unit cell:
a: 40.36Å b: 180.74Å c: 142.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.207
Expression system: Spodoptera frugiperda

Quick links

Citations

14 review citations

A Bright Future for Serial Femtosecond Crystallography with XFELs.
Johansson et al. (2017)
13 more

17 mentions without citation

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