MolNFT v1 · #24778 · protein
Binding of coumarins to NAD(P)H:FMN oxidoreductase
1V5Y · Major NAD(P)H-flavin oxidoreductase: “Binding of coumarins to NAD(P)H:FMN oxidoreductase”. X-ray diffraction, 2 ligands (FMN, 4HC), 2 pockets (best druggability 0.77). MolNFT v1 #24778 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1V5Y
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major NAD(P)H-flavin oxidoreductase
- EC
- 1.6.99.-
- UniProt
- P46072
- Ligands
- FMN, 4HC
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Major NAD(P)H-flavin oxidoreductase (EC 1.6.99.-) | protein | 217 | 48% helix, 16% strand | P46072 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- 4HC · 4-hydroxy-2H-chromen-2-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.77 | 0.84 | 66 | FMN, 4HC |
| 2 | 456 | 0.76 | 0.85 | 50 | 4HC, FMN |
Interfaces
1 interface between chains.
- A–B · 3479 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
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 P46072
- Elsewhere: RCSB PDB 1V5Y · PDBe 1V5Y · UniProt P46072
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