MolNFT v1 · #177937 · protein
Adenosine A2A receptor mutant-I92N
7EZC · Adenosine receptor A2A,SOLUBLE cytochrome B562: “Adenosine A2A receptor mutant-I92N”. X-ray diffraction, 1 ligand (UKA), 5 pockets (best druggability 0.82). MolNFT v1 #177937 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7EZC
- Type
- protein
- Length
- 756 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine receptor A2A,SOLUBLE cytochrome B562
- UniProt
- P29274, P0ABE7
- Ligands
- UKA
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A,SOLUBLE cytochrome B562 | protein | 377 | 78% helix, 2% strand | P29274, P0ABE7 |
| B | Adenosine receptor A2A,SOLUBLE cytochrome B562 | protein | 379 | 82% helix, 2% strand | P29274, P0ABE7 |
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 · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.82 | 0.83 | 70 | empty |
| 2 | 305 | 0.74 | 0.86 | 37 | UKA |
| 3 | 278 | 0.73 | 0.86 | 31 | UKA |
| 4 | 267 | 0.54 | 0.76 | 37 | empty |
| 5 | 244 | 0.52 | 0.76 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 733 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7EZC · Adenosine A2a receptor mutant-I92N · 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 0.75
- 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 7EZC · PDBe 7EZC · UniProt P29274 · UniProt P0ABE7
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