Research workbench
Crystal structure of the modified fructosyl peptide oxidase from aspergillus nidulans with 7 additional mutations, 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
- 6A6V
- Type
- protein
- Length
- 861 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructosyl amine: oxygen oxidoreductase
- Ligands
- FAD, FSA
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructosyl amine: oxygen oxidoreductase | protein | 432 | 31% helix, 26% strand | — |
| H | Fructosyl amine: oxygen oxidoreductase | protein | 429 | 30% helix, 26% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, H
- FSA · 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose · ligand · 2 copies · chains A, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.82 | 0.83 | 105 | FAD, FSA |
| 2 | 1088 | 0.80 | 0.82 | 102 | FAD, FSA |
| 3 | 849 | 0.72 | 0.77 | 97 | empty |
| 4 | 152 | 0.53 | 0.80 | 31 | empty |
| 5 | 169 | 0.52 | 0.79 | 32 | empty |
Interfaces
1 interface between chains.
- A–H · 394 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor, 2 covalent (flavinylation, covalent ligand).
Compared structures
- 6A6V · 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 6A6V · PDBe 6A6V
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