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Structure of human uracil DNA glycosylase (udg) bound to aurintricarboxylic acid (ata)

Analyse Structure of human uracil DNA glycosylase (udg) bound to aurintricarboxylic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VBA
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uracil-DNA glycosylase
EC
3.2.2.27
UniProt
P13051
Ligands
QU4
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUracil-DNA glycosylase (EC 3.2.2.27)protein22339% helix, 11% strandP13051

Ligands and binding sites

  • QU4 · 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene) methylene]bis(6-hydroxybenzoic acid) · ligand · 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
11710.530.7936QU4
2660.370.7712empty

Compared structures

  • 6VBA · Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA) · the same entry in another collection · chain A against A, TM-score 1.00
  • P13051 · AlphaFold monomer V2.0 prediction for uracil-DNA glycosylase (P13051) · a predicted model of the same protein · chain A against A, TM-score 1.00

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