Research workbench
FAD-dependent oxidoreductase from chaetomium thermophilum
Analyse FAD-dependent oxidoreductase from chaetomium thermophilum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZE2
- Type
- protein
- Length
- 1,170 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD-dependent oxidoreductase
- Ligands
- FDA, NAG, MG
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | FAD-dependent oxidoreductase | protein | 585 | 35% helix, 20% strand | — |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
- MG · Magnesium ion · metal · chains A, B
- FMT · Formic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.83 | 0.86 | 97 | FDA |
| 2 | 748 | 0.83 | 0.86 | 92 | FDA |
| 3 | 200 | 0.68 | 0.86 | 32 | empty |
| 4 | 111 | 0.56 | 0.84 | 31 | MG |
| 5 | 136 | 0.50 | 0.79 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 924 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 glycan, 2 disulfide (N-glycosylation, disulfide).
Compared structures
- 6ZE2 · FAD-dependent oxidoreductase from Chaetomium thermophilum · 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 6ZE2 · PDBe 6ZE2
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