MolNFT v1 · #142521 · protein
Crystal structure of the modified fructosyl peptide oxidase from aspergillus nidulans in complex with fsa, seleno-methionine derivative
6A6S · Fructosyl amine: oxygen oxidoreductase: “Crystal structure of the modified fructosyl peptide oxidase from aspergillus nidulans in complex with fsa…”. X-ray diffraction, 4 ligands (D1D, FAD, FSA), 3 pockets (best druggability 0.85).…
- PDB
- 6A6S
- Type
- protein
- Length
- 431 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 0.85
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 | 431 | 31% helix, 26% strand | — |
Ligands and binding sites
- D1D · (4S,5S)-1,2-dithiane-4,5-diol · ligand · 2 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 · 4 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.85 | 0.86 | 113 | FAD, FSA |
| 2 | 147 | 0.51 | 0.79 | 32 | SO4 |
| 3 | 69 | 0.46 | 0.83 | 19 | empty |
Modifications
Observed in the structure: 8 modified, 1 cofactor (engineered, flavinylation, oxidation).
Compared structures
- 6A6S · Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans in… · 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 6A6S · PDBe 6A6S
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