Research workbench
Crystal structure of a protein with similarity to flavin-containing monooxygenases and to mammalian dimethylalanine monooxygenases
Analyse Crystal structure of a protein with similarity to flavin-containing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VQW
- Type
- protein
- Length
- 884 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein with similarity to flavin-containing monooxygenases and to mammalian…
- UniProt
- Q9HFE4
- Ligands
- FAD
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein with similarity to flavin-containing monooxygenases and to mammalian dimethylalanine monooxygenases | protein | 442 | 28% helix, 21% strand | Q9HFE4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.86 | 0.87 | 104 | FAD |
| 2 | 879 | 0.86 | 0.88 | 93 | FAD |
| 3 | 371 | 0.84 | 0.93 | 75 | EPE |
| 4 | 239 | 0.75 | 0.89 | 31 | empty |
| 5 | 444 | 0.64 | 0.77 | 52 | empty |
Interfaces
1 interface between chains.
- A–B · 1637 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1VQW · Crystal structure of a protein with similarity to flavin-containing monooxygenases and to… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HFE4 · AlphaFold monomer V2.0 prediction for thiol-specific monooxygenase (Q9HFE4) · a predicted model of the same protein · 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 Q9HFE4
- Elsewhere: RCSB PDB 1VQW · PDBe 1VQW · UniProt Q9HFE4
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