A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K

Structure

x-ray diffraction · resolution 1.8 · 1 distinct chain · 86% helix, 2% strand (DSSP).

Ligands and binding sites

• MYS · Pentadecane · ligand · 6 copies · chains A
• TRD · Tridecane · ligand · 4 copies · chains A
• CLR · Cholesterol · ligand · 3 copies · chains A
• 8K6 · Octadecane · ligand · 3 copies · chains A
• ER0 · [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R}, 13~{R})-5,9,13,17-tetramethyloctadecanoate · ligand · 2 copies · chains A
• ZMA · 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-A][1,3, 5]triazin-5-yl)amino]ethyl}phenol · ligand · chains A
• D12 · Dodecane · ligand · chains A
• D10 · Decane · ligand · chains A
• NA · Sodium ion · metal · chains A
• OCT · N-octane · additive · 3 copies · chains A
• HEX · Hexane · additive
• UND · Undecane · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 6LPK · A2AR crystallized in EROCOC17+4, lcp-sfx at 293 K · 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 6LPK · PDBe 6LPK · UniProt P29274 · UniProt P0ABE7