GL1X · GenesisL1 explorer

MolNFT v1 · #142919 · protein

Rat xanthine oxidoreductase

6AJU · Xanthine DEHYDROGENASE/OXIDASE: “Rat xanthine oxidoreductase”. X-ray diffraction, 4 ligands (FES, URC, BCT), 20 pockets (best druggability 0.86). MolNFT v1 #142919 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AJU
Type
protein
Length
2,574 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
P22985
Ligands
FES, URC, BCT, FAD
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FXanthine DEHYDROGENASE/OXIDASE (EC 1.17.1.4, 1.17.3.2)protein128734% helix, 23% strandP22985

Ligands and binding sites

  • FES · Fe2/s2 (inorganic) cluster · ligand · 4 copies · chains A, F
  • URC · Uric acid · ligand · 2 copies · chains A, F
  • BCT · Bicarbonate ion · ligand · 2 copies · chains A, F
  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110440.860.87129empty
211540.850.86138empty
38260.840.8786FAD
48490.830.8590empty
59510.830.8487FAD

Interfaces

1 interface between chains.

  • A–F · 2744 Ų buried · 47 hydrogen bonds · protein-protein

Compared structures

  • 6AJU · Rat Xanthine oxidoreductase · the same entry in another collection · chain A against A, TM-score 1.00
  • P22985 · AlphaFold monomer V2.0 prediction for xanthine DEHYDROGENASE/OXIDASE (P22985) · a predicted model of the same protein · chain A against A, TM-score 1.00

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