Research workbench
Agonist bound human A2A adenosine receptor with S91A mutation at 2.90 a resolution
Analyse Agonist bound human A2A adenosine receptor with S91A mutation at 2.90 a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WF6
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human A2A adenosine receptor T4L chimera
- EC
- 3.2.1.17
- UniProt
- P29274, P00720
- Ligands
- UKA
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human A2A adenosine receptor T4L chimera (EC 3.2.1.17) | protein | 441 | 75% helix, 4% strand | P29274, P00720 |
Ligands and binding sites
- UKA · 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl) carbamoylamino]ethyl]purine-2-carboxamide · ligand · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.74 | 0.86 | 30 | UKA |
| 2 | 148 | 0.49 | 0.78 | 20 | empty |
| 3 | 90 | 0.36 | 0.75 | 18 | empty |
| 4 | 54 | 0.27 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5WF6 · Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A 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 0.63
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 P00720
- Elsewhere: RCSB PDB 5WF6 · PDBe 5WF6 · UniProt P29274 · UniProt P00720
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