MolNFT v1 · #128288 · protein
A2A adenosine receptor room-temperature structure determined by serial millisecond crystallography
5NLX · Adenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE…: “A2A adenosine receptor room-temperature structure determined by serial millisecond crystallography”. X-ray diffraction, 4 ligands (OLA, CLR, ZMA), 4 pockets (best…
- PDB
- 5NLX
- Type
- protein
- Length
- 382 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE receptor A2A
- UniProt
- P29274, P0ABE7
- Ligands
- OLA, CLR, ZMA, NA
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 85% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE receptor A2A | protein | 382 | 85% helix, 1% strand | P29274, P0ABE7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 3 copies · chains A
- CLR · Cholesterol · ligand · 3 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.76 | 0.89 | 32 | ZMA |
| 2 | 203 | 0.56 | 0.79 | 29 | empty |
| 3 | 61 | 0.32 | 0.75 | 15 | empty |
| 4 | 50 | 0.26 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5NLX · A2A Adenosine receptor room-temperature structure determined by serial millisecond… · 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 0.79
- 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 5NLX · PDBe 5NLX · UniProt P29274 · UniProt P0ABE7
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