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Crystal structure of uracil-DNA glycosylase from thermus thermophilus HB8

Analyse Crystal structure of uracil-DNA glycosylase from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2D3Y
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uracil-DNA glycosylase
EC
3.2.2.-
UniProt
Q5SJ65
Ligands
SF4, DU
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUracil-DNA glycosylase (EC 3.2.2.-)protein21939% helix, 13% strandQ5SJ65

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • DU · 2'-deoxyuridine-5'-monophosphate · ligand · chains A
  • ACT · Acetate ion · additive · 2 copies · 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
12770.650.8245ACT
2550.310.7614empty

Compared structures

  • 2D3Y · Crystal structure of uracil-DNA glycosylase from Thermus Thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SJ65 · AlphaFold monomer V2.0 prediction for type-5 uracil-DNA glycosylase (Q5SJ65) · a predicted model of the same protein · chain A against A, TM-score 0.99

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