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MolNFT v1 · #134946 · protein

Crystal structure of human 3HAO with iron bound in the active site

5TK5 · 3-hydroxyanthranilate 3,4-dioxygenase: “Crystal structure of human 3HAO with iron bound in the active site”. X-ray diffraction, 2 ligands (FE, SO4), 1 pocket (best druggability 0.69). MolNFT v1 #134946 on GenesisL1: 3D structure…

PDB
5TK5
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
P46952
Ligands
FE, SO4
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6)protein28317% helix, 41% strandP46952

Ligands and binding sites

  • FE · Fe (III) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13470.690.8259empty

Compared structures

  • P46952 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (P46952) · a predicted model of the same protein · chain A against A, TM-score 0.99

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