MolNFT v1 · #159224 · protein
Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (sulfite soaked)
6OIC · SULFIDE:QUINONE oxidoreductase, mitochondrial: “Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (sulfite soaked)”. X-ray diffraction, 3 ligands (UQ1, FAD, H2S), 8 pockets (best druggability…
- PDB
- 6OIC
- Type
- protein
- Length
- 812 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
- UQ1, FAD, H2S
- Pockets
- 8 · best druggability 0.82
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, 28% strand | Q9Y6N5 |
| B | SULFIDE:QUINONE oxidoreductase, mitochondrial (EC 1.8.5.-) | protein | 405 | 33% helix, 27% strand | Q9Y6N5 |
Ligands and binding sites
- UQ1 · Ubiquinone-1 · ligand · 4 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- H2S · Hydrosulfuric acid · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.82 | 0.85 | 75 | FAD, UQ1, H2S |
| 2 | 671 | 0.81 | 0.85 | 68 | FAD, UQ1, H2S |
| 3 | 938 | 0.78 | 0.80 | 111 | empty |
| 4 | 123 | 0.41 | 0.75 | 22 | empty |
| 5 | 98 | 0.41 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1161 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6OIC · Crystal structure of human Sulfide Qui Oxidoreductase in complex with coenzyme Q (sulfite… · 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 6OIC · PDBe 6OIC · UniProt Q9Y6N5
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