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MolNFT v1 · #63586 · protein

Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney

3FE5: “Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney”. X-ray diffraction, 1 ligand (FE), 3 pockets (best druggability 0.75). MolNFT v1 #63586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FE5
Type
protein
Length
283 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-hydroxyanthranilate 3,4-dioxygenase
EC
1.13.11.6
UniProt
Q0VCA8
Ligands
FE
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6)protein28315% helix, 43% strandQ0VCA8

Ligands and binding sites

  • FE · Fe (III) ion · metal · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.750.9819empty
2720.410.7918empty
3890.350.7518empty

Modifications

Observed in the structure: 3 modified (oxidation).

Compared structures

  • 3FE5 · Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney · the same entry in another collection · chain A against A, TM-score 1.00
  • Q0VCA8 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (Q0VCA8) · a predicted model of the same protein · chain A against A, TM-score 0.97

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