› 5nm4

X-ray diffraction
1.7Å resolution

A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography

Released:
DOI: 10.2210/pdb5nm4/pdb
PDB entry 5nm4 coloured by chain, front view.
PDB entry 5nm4 coloured by chain, side view.
PDB entry 5nm4 coloured by chain, top view.
Source organisms:
Primary publication:
Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Weinert T, Olieric N, Cheng R, Brünle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Doré AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J
Nat Commun 8 542 (2017)
PMID: 28912485

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, 219-317; Coverage: 74%)
  • Canonical: P0ABE7 (Residues: 23-127; Coverage: 99%)
Gene names: ADORA2, ADORA2A, cybC
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand OLA 5 x OLA
Ligand NA 1 x NA
Ligand ZMA 1 x ZMA
Ligand CLR 3 x CLR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: C2221
Unit cell:
a: 39.89Å b: 179.15Å c: 141.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.212 0.235
Expression system: Trichoplusia ni

Quick links

Citations

9 review citations

Recent Advances in the In-silico Structure-based and Ligand-based Approaches for the Design and Discovery of Agonists and Antagonists of A2A Adenosine Receptor.
Agrawal et al. (2019)
8 more

24 mentions without citation

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