Structure of the A2A-STAR2-BRIL562-compound 4E complex at 1.9A obtained from bespoke co-crystallisation experiments.

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 2% strand (DSSP).

Ligands and binding sites

• OLA · Oleic acid · ligand · 15 copies · chains A
• CLR · Cholesterol · ligand · 4 copies · chains A
• T4E · 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol · ligand · chains A
• NA · Sodium ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 11 copies · chains A
• TAR · D(-)-tartaric acid · additive · chains A
• PGE · Triethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 5OLZ · Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke… · the same entry in another collection · chain A against A, TM-score 1.00
• P29274 · AlphaFold monomer V2.0 prediction for adenosine receptor A2A (P29274) · a predicted model of the same protein · chain A against A, TM-score 0.78
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.26

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P29274
• Every structure of UniProt P0ABE7
• Elsewhere: RCSB PDB 5OLZ · PDBe 5OLZ · UniProt P29274 · UniProt P0ABE7