Research workbench
Crystal structure of human myo-inositol oxygenase (miox)
Analyse Crystal structure of human myo-inositol oxygenase (miox) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IBN
- Type
- protein
- Length
- 476 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol oxygenase
- EC
- 1.13.99.1
- UniProt
- Q9UGB7
- Ligands
- I1N, CYS, FE, SO4
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol oxygenase (EC 1.13.99.1) | protein | 241 | 56% helix, 2% strand | Q9UGB7 |
| B | Inositol oxygenase (EC 1.13.99.1) | protein | 235 | 55% helix, 3% strand | Q9UGB7 |
Ligands and binding sites
- I1N · (2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexanone · ligand · 2 copies · chains A, B
- CYS · Cysteine · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.61 | 0.79 | 31 | I1N |
| 2 | 349 | 0.56 | 0.75 | 30 | I1N |
| 3 | 54 | 0.27 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 440 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified, 2 covalent (engineered, covalent ligand).
Compared structures
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 Q9UGB7
- Elsewhere: RCSB PDB 2IBN · PDBe 2IBN · UniProt Q9UGB7
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