MolNFT v1 · #87425 · protein
The crystal strucuture of ppazor in complex with anthraquinone-2- sulfonate
4C0X · FMN-dependent NADH-azoreductase 1: “The crystal strucuture of ppazor in complex with anthraquinone-2- sulfonate”. X-ray diffraction, 2 ligands (FMN, AQN), 1 pocket (best druggability 0.36). MolNFT v1 #87425 on GenesisL1: 3D…
- PDB
- 4C0X
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FMN-dependent NADH-azoreductase 1
- EC
- 1.7.-.-, 1.6.5.2
- UniProt
- Q88IY3
- Ligands
- FMN, AQN
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FMN-dependent NADH-azoreductase 1 (EC 1.7.-.-, 1.6.5.2) | protein | 200 | 46% helix, 22% strand | Q88IY3 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- AQN · 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.36 | 0.79 | 15 | empty |
Compared structures
- 4C0X · The crystal strucuture of PpAzoR in complex with anthraqui -2- sulfonate · the same entry in another collection · chain A against A, TM-score 1.00
- Q88IY3 · AlphaFold monomer V2.0 prediction for FMN-dependent NADH:QUINONE oxidoreductase 1 (Q88IY3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q88IY3
- Elsewhere: RCSB PDB 4C0X · PDBe 4C0X · UniProt Q88IY3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.