MolNFT v1 · #77437 · protein
Thermostabilised adenosine A2A receptor in complex with xac
3REY · Adenosine receptor A2A: “Thermostabilised adenosine A2A receptor in complex with xac”. X-ray diffraction, 1 ligand (XAC), 3 pockets (best druggability 0.70). MolNFT v1 #77437 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3REY
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine receptor A2A
- UniProt
- P29274
- Ligands
- XAC
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A | protein | 291 | 78% helix, 1% strand | P29274 |
Ligands and binding sites
- XAC · N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.70 | 0.82 | 34 | XAC |
| 2 | 209 | 0.55 | 0.78 | 23 | empty |
| 3 | 77 | 0.37 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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
- Elsewhere: RCSB PDB 3REY · PDBe 3REY · UniProt P29274
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