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MolNFT v1 · #145067 · protein

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in complex with 3-haa

6CD3 · 3-hydroxyanthranilate 3,4-dioxygenase: “Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in complex…”. X-ray diffraction, 2 ligands (3HA, FE2), 1 pocket (best druggability 0.73). MolNFT…

PDB
6CD3
Type
protein
Length
170 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
Q1LCS4
Ligands
3HA, FE2
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6)protein17014% helix, 38% strandQ1LCS4

Ligands and binding sites

  • 3HA · 3-hydroxyanthranilic acid · ligand · chains A
  • FE2 · Fe (II) ion · metal · 2 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
14370.730.8345FE2, 3HA

Compared structures

  • 6CD3 · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q1LCS4 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (Q1LCS4) · a predicted model of the same protein · chain A against A, TM-score 1.00

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