Research workbench
Crystal structure of the A2A-STAR2-BRIL562 in complex with AZD4635 at 2.0A resolution
Analyse Crystal structure of the A2A-STAR2-BRIL562 in complex with AZD4635 at 2.0A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GT3
- Type
- protein
- Length
- 388 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, F9Q, NA
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 85% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine receptor A2A,SOLUBLE cytochrome B562,ADENOSINE receptor A2A | protein | 388 | 85% helix, 2% strand | P29274, P0ABE7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 15 copies · chains A
- CLR · Cholesterol · ligand · 3 copies · chains A
- F9Q · 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine · ligand · chains A
- NA · Sodium ion · metal · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 10 copies · 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 | 301 | 0.77 | 0.88 | 35 | F9Q |
| 2 | 197 | 0.53 | 0.78 | 27 | empty |
| 3 | 161 | 0.43 | 0.74 | 20 | empty |
| 4 | 74 | 0.37 | 0.76 | 15 | OLA |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6GT3 · Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A 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 0.78
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.25
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 6GT3 · PDBe 6GT3 · UniProt P29274 · UniProt P0ABE7
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