MolNFT v1 · #109166 · protein
Structural biochemistry of a fungal lov domain photoreceptor reveals an evolutionarily conserved pathway integrating blue-light and oxidative stress
4WUJ · Glycoside hydrolase family 15, cellulose signaling…: “Structural biochemistry of a fungal lov domain photoreceptor reveals an evolutionarily conserved pathway…”. X-ray diffraction, 2 ligands (FMN, SO4), 9 pockets (best druggability…
- PDB
- 4WUJ
- Type
- protein
- Length
- 566 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 15, cellulose signaling associated protein envoy
- UniProt
- G0RUC2
- Ligands
- FMN, SO4
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | protein | 139 | 26% helix, 24% strand | G0RUC2 |
| B | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | protein | 144 | 26% helix, 24% strand | G0RUC2 |
| C | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | protein | 145 | 26% helix, 23% strand | G0RUC2 |
| D | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | protein | 138 | 27% helix, 25% strand | G0RUC2 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.80 | 0.84 | 61 | FMN, SO4 |
| 2 | 193 | 0.68 | 0.86 | 27 | FMN |
| 3 | 190 | 0.66 | 0.85 | 27 | FMN |
| 4 | 190 | 0.49 | 0.76 | 35 | empty |
| 5 | 110 | 0.39 | 0.75 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1533 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 299 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 246 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4WUJ · Structural Biochemistry of a Fungal LOV Domain Photoreceptor Reveals an Evolutionarily… · 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 G0RUC2
- Elsewhere: RCSB PDB 4WUJ · PDBe 4WUJ · UniProt G0RUC2
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