Research workbench
The dark structure of the blue-light photoreceptor AUREOCHROME1 lov
Analyse The dark structure of the blue-light photoreceptor AUREOCHROME1 lov in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UE6
- Type
- protein
- Length
- 778 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AUREOCHROME1
- UniProt
- A8QW55
- Ligands
- FMN, PO4
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AUREOCHROME1 | protein | 135 | 37% helix, 27% strand | A8QW55 |
| B | AUREOCHROME1 | protein | 128 | 30% helix, 31% strand | A8QW55 |
| C | AUREOCHROME1 | protein | 120 | 33% helix, 32% strand | A8QW55 |
| D | AUREOCHROME1 | protein | 130 | 35% helix, 28% strand | A8QW55 |
| E | AUREOCHROME1 | protein | 138 | 36% helix, 27% strand | A8QW55 |
| F | AUREOCHROME1 | protein | 127 | 31% helix, 30% strand | A8QW55 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 6 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 2 copies · chains B, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 652 | 0.82 | 0.86 | 86 | empty |
| 2 | 382 | 0.78 | 0.87 | 56 | empty |
| 3 | 264 | 0.76 | 0.89 | 36 | empty |
| 4 | 165 | 0.69 | 0.88 | 22 | FMN |
| 5 | 158 | 0.68 | 0.87 | 24 | FMN |
Interfaces
14 interfaces between chains.
- E–F · 1457 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1248 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 871 Ų buried · 6 hydrogen bonds · protein-protein
- B–E · 512 Ų buried · 4 hydrogen bonds · protein-protein
- A–F · 509 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3UE6 · The dark structure of the blue-light photoreceptor Aureochrome1 LOV · the same entry in another collection · chain A against A, TM-score 1.00
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 A8QW55
- Elsewhere: RCSB PDB 3UE6 · PDBe 3UE6 · UniProt A8QW55
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