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The light state structure of the blue-light photoreceptor AUREOCHROME1 lov
Analyse The light state 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
- 3ULF
- Type
- protein
- Length
- 774 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AUREOCHROME1
- UniProt
- A8QW55
- Ligands
- FMN, PO4
- Pockets
- 15 · best druggability 0.77
Structure
x-ray diffraction · 5 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | AUREOCHROME1 | protein | 135 | 36% helix, 28% strand | A8QW55 |
| B | AUREOCHROME1 | protein | 128 | 33% helix, 30% strand | A8QW55 |
| C | AUREOCHROME1 | protein | 120 | 30% helix, 33% strand | A8QW55 |
| D | AUREOCHROME1 | protein | 129 | 33% helix, 28% strand | A8QW55 |
| F | AUREOCHROME1 | protein | 127 | 32% helix, 31% 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
15 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.77 | 0.90 | 44 | empty |
| 2 | 183 | 0.73 | 0.90 | 31 | empty |
| 3 | 195 | 0.69 | 0.87 | 30 | FMN |
| 4 | 190 | 0.69 | 0.87 | 23 | empty |
| 5 | 151 | 0.69 | 0.89 | 32 | empty |
Interfaces
14 interfaces between chains.
- E–F · 1276 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1234 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 791 Ų buried · 8 hydrogen bonds · protein-protein
- A–F · 467 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 424 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 cofactor (flavinylation).
Compared structures
- 3ULF · The light state 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 3ULF · PDBe 3ULF · UniProt A8QW55
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