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2.72 ångström crystal structure of P97A 3-hydroxyanthranilate-3,4- dioxygenase from cupriavidus metallidurans

Analyse 2.72 ångström crystal structure of P97A 3-hydroxyanthranilate-3,4- dioxygenase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5V28
Type
protein
Length
174 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
FE2
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6)protein17411% helix, 36% strandQ1LCS4

Ligands and binding sites

  • FE2 · Fe (II) ion · metal · 2 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14360.740.8451FE2
2590.340.7817empty

Compared structures

  • 5V28 · 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from… · 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 0.99

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