MolNFT v1 · #108629 · protein
The crystal structure of fructosyl amine: oxygen oxidoreductase (amadoriase I) from aspergillus fumigatus
4WCT · Fructosyl AMINE:OXYGEN oxidoreductase: “The crystal structure of fructosyl amine: oxygen oxidoreductase (amadoriase I) from aspergillus fumigatus”. X-ray diffraction, 1 ligand (FAD), 6 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 4WCT
- Type
- protein
- Length
- 882 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructosyl AMINE:OXYGEN oxidoreductase
- UniProt
- O42629
- Ligands
- FAD
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructosyl AMINE:OXYGEN oxidoreductase | protein | 441 | 26% helix, 26% strand | O42629 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1029 | 0.86 | 0.87 | 103 | FAD |
| 2 | 1045 | 0.85 | 0.86 | 103 | FAD |
| 3 | 71 | 0.64 | 0.92 | 23 | empty |
| 4 | 169 | 0.58 | 0.82 | 34 | empty |
| 5 | 100 | 0.43 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 597 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (flavinylation).
Compared structures
- 4WCT · The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from… · 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 O42629
- Elsewhere: RCSB PDB 4WCT · PDBe 4WCT · UniProt O42629
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