MolNFT v1 · #112779 · protein
Reduced quinone reductase 2 in complex with acridine orange
4ZVN · Ribosyldihydronicotinamide dehydrogenase [quinone]: “Reduced quinone reductase 2 in complex with acridine orange”. X-ray diffraction, 3 ligands (FAD, AO, ZN), 2 pockets (best druggability 0.77). MolNFT v1 #112779 on GenesisL1: 3D…
- PDB
- 4ZVN
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribosyldihydronicotinamide dehydrogenase [quinone]
- EC
- 1.10.99.2
- UniProt
- P16083
- Ligands
- FAD, AO, ZN
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.99.2) | protein | 230 | 41% helix, 16% strand | P16083 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- AO · Acridine orange · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 3 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 | 509 | 0.77 | 0.84 | 41 | FAD, AO |
| 2 | 600 | 0.76 | 0.82 | 41 | FAD, AO |
Interfaces
1 interface between chains.
- A–B · 2044 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 4ZVN · Reduced qui reductase 2 in complex with acridine orange · 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 P16083
- Elsewhere: RCSB PDB 4ZVN · PDBe 4ZVN · UniProt P16083
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