MolNFT v1 · #80519 · protein
Quinone oxidoreductase (NQ02) bound to NSC13000
3TZB · Ribosyldihydronicotinamide dehydrogenase [quinone]: “Quinone oxidoreductase (NQ02) bound to NSC13000”. X-ray diffraction, 3 ligands (FAD, AA, ZN), 7 pockets (best druggability 0.76). MolNFT v1 #80519 on GenesisL1: 3D structure…
- PDB
- 3TZB
- Type
- protein
- Length
- 916 residues
- Chains
- 4
- 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, AA, ZN
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.99.2) | protein | 230 | 43% helix, 17% strand | P16083 |
| B, D | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.99.2) | protein | 228 | 40% helix, 16% strand | P16083 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- AA · 9-aminoacridine · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 593 | 0.76 | 0.83 | 42 | FAD, AA |
| 2 | 533 | 0.76 | 0.83 | 45 | AA, FAD |
| 3 | 612 | 0.76 | 0.82 | 48 | AA, FAD |
| 4 | 555 | 0.74 | 0.81 | 43 | FAD, AA |
| 5 | 675 | 0.65 | 0.75 | 43 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2032 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2012 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 199 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3TZB · Qui Oxidoreductase (NQ02) bound to NSC13000 · 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 3TZB · PDBe 3TZB · UniProt P16083
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.