MolNFT v1 · #187918 · protein
Cryoem structure of the adenosine 2A receptor-BRIL/ANTI bril Fab complex with ZM241385
7T32 · Adenosine receptor A2A/SOLUBLE cytochrome B562 fusion…: “Cryoem structure of the adenosine 2A receptor-BRIL/ANTI bril Fab complex with ZM241385”. Electron microscopy, 1 ligand (ZMA), 6 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 7T32
- Type
- protein
- Length
- 375 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine receptor A2A/SOLUBLE cytochrome B562 fusion protein
- UniProt
- P29274, P0ABE7
- Ligands
- ZMA
- Pockets
- 6 · best druggability 0.77
Structure
electron microscopy · 1 distinct chain · 84% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A/SOLUBLE cytochrome B562 fusion protein | protein | 375 | 84% helix, 1% strand | P29274, P0ABE7 |
Ligands and binding sites
- 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.77 | 0.86 | 33 | ZMA |
| 2 | 71 | 0.73 | 0.97 | 23 | empty |
| 3 | 162 | 0.49 | 0.77 | 20 | empty |
| 4 | 87 | 0.45 | 0.80 | 23 | empty |
| 5 | 145 | 0.44 | 0.75 | 26 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7T32 · CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385 · 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 0.77
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.27
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 7T32 · PDBe 7T32 · UniProt P29274 · UniProt P0ABE7
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