MolNFT v1 · #184660 · protein
Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor
7OY0 · Spermine OXIDASE,SPERMINE OXIDASE,SPERMINE oxidase: “Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor”. X-ray diffraction, 3 ligands (6YU, 3EI, CL), 3 pockets (best druggability 0.84).…
- PDB
- 7OY0
- Type
- protein
- Length
- 462 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spermine OXIDASE,SPERMINE OXIDASE,SPERMINE oxidase
- EC
- 1.5.3.16
- UniProt
- Q9NWM0
- Ligands
- 6YU, 3EI, CL
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spermine OXIDASE,SPERMINE OXIDASE,SPERMINE oxidase (EC 1.5.3.16) | protein | 462 | 40% helix, 20% strand | Q9NWM0 |
Ligands and binding sites
- 6YU · FAD-MDL72527 adduct · ligand · chains A
- 3EI · 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl) amino]phenol · ligand · chains A
- CL · Chloride ion · ion · chains A
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 | 1162 | 0.84 | 0.85 | 112 | 6YU, 3EI, CL |
| 2 | 527 | 0.70 | 0.80 | 51 | empty |
| 3 | 57 | 0.45 | 0.83 | 20 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7OY0 · Structure of human Spermine Oxidase in complex with a highly selective allosteric… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWM0 · AlphaFold monomer V2.0 prediction for spermine oxidase (Q9NWM0) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 Q9NWM0
- Elsewhere: RCSB PDB 7OY0 · PDBe 7OY0 · UniProt Q9NWM0
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