Research workbench
Peroxiredoxin nitroreductase fusion enzyme
Analyse Peroxiredoxin nitroreductase fusion enzyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EO3
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterioferritin comigratory PROTEIN/NADH dehydrogenase
- UniProt
- Q9WYL7
- Ligands
- FMN, SO4
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bacterioferritin comigratory PROTEIN/NADH dehydrogenase | protein | 321 | 39% helix, 24% strand | Q9WYL7 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.64 | 0.81 | 35 | FMN |
| 2 | 255 | 0.61 | 0.80 | 34 | FMN |
| 3 | 211 | 0.50 | 0.76 | 28 | empty |
| 4 | 104 | 0.43 | 0.78 | 20 | empty |
| 5 | 85 | 0.41 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 4849 Ų buried · 79 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4EO3 · Peroxiredoxin Nitroreductase Fusion Enzyme · 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 Q9WYL7
- Elsewhere: RCSB PDB 4EO3 · PDBe 4EO3 · UniProt Q9WYL7
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