Research workbench
Crystal structure of the modified fructosyl peptide oxidase from aspergillus nidulans with R61G mutation, in complex with fsa
Analyse Crystal structure of the modified fructosyl peptide oxidase from aspergillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A6U
- Type
- protein
- Length
- 432 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructosyl amine: oxygen oxidoreductase
- Ligands
- D1D, FAD, FSA, SO4
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructosyl amine: oxygen oxidoreductase | protein | 432 | 31% helix, 26% strand | — |
Ligands and binding sites
- D1D · (4S,5S)-1,2-dithiane-4,5-diol · ligand · 4 copies · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- FSA · 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.83 | 0.84 | 102 | FAD, FSA |
| 2 | 102 | 0.48 | 0.81 | 21 | empty |
| 3 | 78 | 0.46 | 0.81 | 19 | empty |
Modifications
Observed in the structure: 1 cofactor, 1 modified (flavinylation, oxidation).
Compared structures
- 6A6U · Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans… · 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
- Elsewhere: RCSB PDB 6A6U · PDBe 6A6U
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