MolNFT v1 · #58239 · protein
Bovine xanthine oxidase, protease cleaved form
3AX9 · Xanthine DEHYDROGENASE/OXIDASE: “Bovine xanthine oxidase, protease cleaved form”. X-ray diffraction, 6 ligands (FES, FAD, XAX), 20 pockets (best druggability 0.88). MolNFT v1 #58239 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AX9
- Type
- protein
- Length
- 2,443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xanthine DEHYDROGENASE/OXIDASE
- EC
- 1.17.1.4, 1.17.3.2
- UniProt
- P80457
- Ligands
- FES, FAD, XAX, BCT, SAL, CA
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xanthine DEHYDROGENASE/OXIDASE (EC 1.17.1.4, 1.17.3.2) | protein | 1225 | 33% helix, 24% strand | P80457 |
| B | Xanthine DEHYDROGENASE/OXIDASE (EC 1.17.1.4, 1.17.3.2) | protein | 1218 | 33% helix, 24% strand | P80457 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 4 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- XAX · {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum · ligand · 2 copies · chains A, B
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- SAL · 2-hydroxybenzoic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 894 | 0.88 | 0.90 | 107 | FAD, GOL |
| 2 | 1000 | 0.87 | 0.88 | 102 | FAD |
| 3 | 1048 | 0.85 | 0.86 | 153 | empty |
| 4 | 425 | 0.83 | 0.91 | 60 | GOL |
| 5 | 712 | 0.83 | 0.87 | 77 | GOL |
Interfaces
1 interface between chains.
- A–B · 3137 Ų buried · 54 hydrogen bonds · protein-protein
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 P80457
- Elsewhere: RCSB PDB 3AX9 · PDBe 3AX9 · UniProt P80457
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.