› 5vra

X-ray diffraction
2.35Å resolution

2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K

Released:
DOI: 10.2210/pdb5vra/pdb
PDB entry 5vra coloured by chain, front view.
PDB entry 5vra coloured by chain, side view.
PDB entry 5vra coloured by chain, top view.
Source organisms:
Primary publication:
High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Broecker J, Morizumi T, Ou WL, Klingel V, Kuo A, Kissick DJ, Ishchenko A, Lee MY, Xu S, Makarov O, Cherezov V, Ogata CM, Ernst OP
Nat Protoc 13 260-292 (2018)
PMID: 29300389

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

6 bound ligands:
Ligand ZMA 1 x ZMA
Ligand NA 1 x NA
Ligand CLR 3 x CLR
Ligand OLC 6 x OLC
Ligand OLA 10 x OLA
Ligand OLB 1 x OLB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: C2221
Unit cell:
a: 39.82Å b: 178.9Å c: 140.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.222
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Protein X-ray Crystallography and Drug Discovery.
Maveyraud et al. (2020)
2 more

9 mentions without citation

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