› 3uzc

X-ray diffraction
3.34Å resolution

Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol

Released:
DOI: 10.2210/pdb3uzc/pdb
PDB 3uzc coloured by chain and viewed from the front.
PDB 3uzc coloured by chain and viewed from the side.
PDB 3uzc coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design.
Congreve M, Andrews SP, Doré AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH
J. Med. Chem. 55 1898-903 (2012)
PMID: 22220592

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine receptor A2a Chain: A
Molecule details ›
Chain: A
Length: 329 amino acids
Theoretical weight: 36.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29274 (Residues: 1-317; Coverage: 77%)
Gene names: ADORA2, ADORA2A
Sequence domains: 7 transmembrane receptor (rhodopsin family)
Structure domains: Rhodopsin 7-helix transmembrane proteins

Ligands and Environments

1 bound ligand:
Ligand T4E 1 x T4E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: I222
Unit cell:
a: 110.7Å b: 112.064Å c: 126.9Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.282 0.282 0.29
Expression system: Spodoptera frugiperda

Quick links

Citations

46 review citations

International Union of Basic and Clinical Pharmacology. CXII: Adenosine Receptors: A Further Update.
IJzerman et al. (2022)
45 more

16 mentions without citation

Human Adenosine A2A Receptor: Molecular Mechanism of Ligand Binding and Activation.
Carpenter et al. (2017)
15 more