MolNFT v1 · #166883 · protein
Crystal structure of the flavin oxygenase with cofactor bound involved in folate catabolism
6V42 · FAD/FMN-containing dehydrogenase: “Crystal structure of the flavin oxygenase with cofactor bound involved in folate catabolism”. X-ray diffraction, 1 ligand (FAD), 10 pockets (best druggability 0.87). MolNFT v1 #166883 on GenesisL1…
- PDB
- 6V42
- Type
- protein
- Length
- 932 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD/FMN-containing dehydrogenase
- UniProt
- A9D9D1
- Ligands
- FAD
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | FAD/FMN-containing dehydrogenase | protein | 466 | 32% helix, 23% strand | A9D9D1 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.87 | 0.94 | 70 | FAD |
| 2 | 444 | 0.86 | 0.94 | 69 | FAD |
| 3 | 171 | 0.81 | 0.97 | 40 | empty |
| 4 | 194 | 0.60 | 0.82 | 22 | empty |
| 5 | 220 | 0.59 | 0.80 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1658 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
Compared structures
- 6V42 · Crystal structure of the flavin oxygenase with cofactor bound involved in folate… · 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
- Every structure of UniProt A9D9D1
- Elsewhere: RCSB PDB 6V42 · PDBe 6V42 · UniProt A9D9D1
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