MolNFT v1 · #186684 · protein
Microed structure of the human adenosine receptor at 2.8A
7RM5 · Adenosine receptor A2A/SOLUBLE cytochrome B562 chimera: “Microed structure of the human adenosine receptor at 2.8A”. Electron crystallography, 3 ligands (CLR, ZMA, NA), 5 pockets (best druggability 0.75). MolNFT v1 #186684 on…
- PDB
- 7RM5
- Type
- protein
- Length
- 390 residues
- Chains
- 1
- Method
- electron crystallography
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine receptor A2A/SOLUBLE cytochrome B562 chimera
- UniProt
- P29274, P0ABE7
- Ligands
- CLR, ZMA, NA
- Pockets
- 5 · best druggability 0.75
Structure
electron crystallography · 1 distinct chain · 81% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A/SOLUBLE cytochrome B562 chimera | protein | 390 | 81% helix, 2% strand | P29274, P0ABE7 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 4 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.75 | 0.89 | 27 | ZMA |
| 2 | 165 | 0.48 | 0.76 | 27 | empty |
| 3 | 168 | 0.47 | 0.76 | 21 | empty |
| 4 | 59 | 0.36 | 0.78 | 15 | empty |
| 5 | 67 | 0.31 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7RM5 · MicroED structure of the human adenosine receptor at 2.8A · 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 7RM5 · PDBe 7RM5 · UniProt P29274 · UniProt P0ABE7
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