Research workbench
FAD-dependent oxidoreductase from chaetomium thermophilum in complex with fragment (4-METHOXYCARBONYLPHENYL)METHYLAZANIUM
Analyse FAD-dependent oxidoreductase from chaetomium thermophilum in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZE3
- Type
- protein
- Length
- 585 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD-dependent oxidoreductase
- Ligands
- FDA, 8G2, NAG, NA, MG
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD-dependent oxidoreductase | protein | 585 | 36% helix, 21% strand | — |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
- 8G2 · (4-methoxycarbonylphenyl)methylazanium · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- NA · Sodium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- FMT · Formic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.82 | 0.86 | 95 | FDA, 8G2, FMT |
| 2 | 115 | 0.37 | 0.74 | 18 | empty |
Modifications
Observed in the structure: 5 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
- 6ZE3 · FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment… · 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 6ZE3 · PDBe 6ZE3
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