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The crystal structure of SAUGI/KSHVUDG complex

Analyse The crystal structure of SAUGI/KSHVUDG complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LYV
Type
protein
Length
2,660 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.7
Source
Human herpesvirus 8; Staphylococcus aureus
Molecule
Uracil-DNA glycosylase; Saugi
EC
3.2.2.27
UniProt
Q76RG8, Q936H5
Pockets
20 · best druggability 0.77

Structure

x-ray diffraction · resolution 2.7 · 8 distinct chains · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CUracil-DNA glycosylase (EC 3.2.2.27)protein23441% helix, 11% strandQ76RG8
B, D, J, PSaugiprotein10029% helix, 37% strandQ936H5
EUracil-DNA glycosylase (EC 3.2.2.27)protein23441% helix, 11% strandQ76RG8
F, NSaugiprotein9728% helix, 38% strandQ936H5
GUracil-DNA glycosylase (EC 3.2.2.27)protein23341% helix, 12% strandQ76RG8
H, LSaugiprotein9927% helix, 37% strandQ936H5
I, M, OUracil-DNA glycosylase (EC 3.2.2.27)protein23341% helix, 12% strandQ76RG8
KUracil-DNA glycosylase (EC 3.2.2.27)protein23441% helix, 12% strandQ76RG8

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17150.770.8263empty
28330.730.7887empty
38520.710.7687empty
48590.680.7464empty
54170.640.7856empty

Interfaces

29 interfaces between chains.

  • A–B · 1479 Ų buried · 21 hydrogen bonds · protein-protein
  • K–L · 1468 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1467 Ų buried · 23 hydrogen bonds · protein-protein
  • I–J · 1440 Ų buried · 20 hydrogen bonds · protein-protein
  • E–F · 1440 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6LYV · The crystal structure of SAUGI/KSHVUDG complex · the same entry in another collection · chain A against A, TM-score 1.00

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