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A2A adenosine receptor cryo structure

Analyse A2A adenosine receptor cryo structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NM2
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE receptor A2A
UniProt
P29274, P0ABE7
Ligands
OLA, CLR, OLB, ZMA, NA
Pockets
4 · best druggability 0.74

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE receptor A2Aprotein38885% helix, 2% strandP29274, P0ABE7

Ligands and binding sites

  • OLA · Oleic acid · ligand · 15 copies · chains A
  • CLR · Cholesterol · ligand · 3 copies · chains A
  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · 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
  • NA · Sodium ion · metal · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.740.8928ZMA
22670.610.7934empty
32130.550.7826empty
4730.390.7715OLA

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5NM2 · A2A Adenosine receptor cryo structure · 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

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