MolNFT v1 · #107696 · protein
Human aldehyde oxidase
4UHW: “Human aldehyde oxidase”. X-ray diffraction, 4 ligands (FES, MTE, MOS), 15 pockets (best druggability 0.85). MolNFT v1 #107696 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UHW
- Type
- protein
- Length
- 1,288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde oxidase
- EC
- 1.2.3.1, 1.17.3.-
- UniProt
- Q06278
- Ligands
- FES, MTE, MOS, FAD
- Pockets
- 15 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde oxidase (EC 1.2.3.1, 1.17.3.-) | protein | 1288 | 35% helix, 23% strand | Q06278 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A
- MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · chains A
- MOS · Dioxothiomolybdenum(vi) ion · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- MLI · Malonate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 669 | 0.85 | 0.89 | 80 | MLI, FAD |
| 2 | 784 | 0.83 | 0.86 | 71 | empty |
| 3 | 699 | 0.79 | 0.84 | 92 | MTE, MOS |
| 4 | 372 | 0.78 | 0.88 | 54 | MLI |
| 5 | 592 | 0.72 | 0.80 | 56 | empty |
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 Q06278
- Elsewhere: RCSB PDB 4UHW · PDBe 4UHW · UniProt Q06278
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