MolNFT v1 · #19268 · protein
Crystal structure of NAD(P)H:FLAVIN oxidoreductase from escherichia COLI
1QFJ · Protein (flavin reductase): “Crystal structure of NAD(P)H:FLAVIN oxidoreductase from escherichia COLI”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #19268 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1QFJ
- Type
- protein
- Length
- 904 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (flavin reductase)
- UniProt
- P23486
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (flavin reductase) | protein | 226 | 29% helix, 31% strand | P23486 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.72 | 0.76 | 72 | empty |
| 2 | 429 | 0.70 | 0.81 | 52 | GOL |
| 3 | 419 | 0.69 | 0.80 | 48 | GOL |
| 4 | 319 | 0.67 | 0.82 | 48 | GOL |
| 5 | 142 | 0.61 | 0.85 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 949 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 920 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 334 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1QFJ · Crystal structure of NAD(P)H:FLAVIN oxidoreductase from escherichia COLI · 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 P23486
- Elsewhere: RCSB PDB 1QFJ · PDBe 1QFJ · UniProt P23486
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