Crystal structure of the A2A-STAR2-BRIL562 in complex with AZD4635 at 2.0A resolution

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 · 3 copies · chains A
• F9Q · 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine · ligand · chains A
• NA · Sodium ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 10 copies · 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

• 6GT3 · Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution · 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 0.25

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 6GT3 · PDBe 6GT3 · UniProt P29274 · UniProt P0ABE7