MolNFT v1 · #159218 · protein
Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (sulfide soaked)
6OI6 · SULFIDE:QUINONE oxidoreductase, mitochondrial: “Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (sulfide soaked)”. X-ray diffraction, 2 ligands (FAD, UQ1), 7 pockets (best druggability 0.84).…
- PDB
- 6OI6
- Type
- protein
- Length
- 811 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SULFIDE:QUINONE oxidoreductase, mitochondrial
- EC
- 1.8.5.-
- UniProt
- Q9Y6N5
- Ligands
- FAD, UQ1
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SULFIDE:QUINONE oxidoreductase, mitochondrial (EC 1.8.5.-) | protein | 407 | 33% helix, 27% strand | Q9Y6N5 |
| B | SULFIDE:QUINONE oxidoreductase, mitochondrial (EC 1.8.5.-) | protein | 404 | 32% helix, 28% strand | Q9Y6N5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- UQ1 · Ubiquinone-1 · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 820 | 0.84 | 0.86 | 75 | FAD |
| 2 | 784 | 0.83 | 0.86 | 75 | FAD |
| 3 | 1059 | 0.78 | 0.80 | 137 | empty |
| 4 | 80 | 0.40 | 0.78 | 18 | empty |
| 5 | 77 | 0.39 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1143 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 6OI6 · Crystal structure of human Sulfide Qui Oxidoreductase in complex with coenzyme Q (sulfide… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y6N5 · AlphaFold monomer V2.0 prediction for SULFIDE:QUINONE oxidoreductase, mitochondrial… · a predicted model of the same protein · chain B 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 Q9Y6N5
- Elsewhere: RCSB PDB 6OI6 · PDBe 6OI6 · UniProt Q9Y6N5
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