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Crystal structure of pyrococcus abyssi 8-oxoguanine DNA glycosylase (pabagog) in complex with dsdna containing cytosine opposite to 8- oxog

Analyse Crystal structure of pyrococcus abyssi 8-oxoguanine DNA glycosylase (pabagog)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7P8L
Type
protein + DNA
Length
260 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-GLYCOSYLASE/DNA lyase; DNA (5'-D(*TP*TP*TP*(8OG)P*TP*TP*TP*CP*T)-3'); DNA…
EC
3.2.2.-, 4.2.99.18
UniProt
Q9UZY0
Pockets
1 · best druggability 0.26

Structure

x-ray diffraction · 3 distinct chains · 71% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AN-GLYCOSYLASE/DNA lyase (EC 3.2.2.-, 4.2.99.18)protein24271% helix, 0% strandQ9UZY0
BDNA (5'-D(*TP*TP*TP*(8OG)P*TP*TP*TP*CP*T)-3')dna9——
IDNA (5'-D(*AP*GP*AP*AP*AP*CP*AP*AP*A)-3')dna9——

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.260.7313empty

Interfaces

3 interfaces between chains.

  • A–B · 835 Ų buried · 26 hydrogen bonds · protein-nucleic
  • B–I · 354 Ų buried · 25 hydrogen bonds · nucleic-nucleic
  • A–I · 282 Ų buried · 5 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 7P8L · Crystal structure of Pyrococcus abyssi 8-oxoguanine DNA glycosylase (PabAGOG) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UZY0 · AlphaFold monomer V2.0 prediction for N-GLYCOSYLASE/DNA lyase (Q9UZY0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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