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Borohydride-trapped HOGG1 intermediate structure co- crystallized with 8-bromoguanine

Analyse Borohydride-trapped HOGG1 intermediate structure co- crystallized with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LWW
Type
protein + DNA
Length
344 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'; 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)…
EC
3.2.2.-
UniProt
O15527
Ligands
BRG, CA
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D5'- D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'dna15——
E5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED) P*GP*TP*CP*TP*AP*CP*C)-3'dna15——
A8-oxoguanine DNA glycosylase (EC 3.2.2.-)protein31447% helix, 12% strandO15527

Ligands and binding sites

  • BRG · 8-bromoguanine · ligand · chains E, A
  • CA · Calcium ion · metal · chains E, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.740.9820BRG
24070.590.7636CA
3950.490.8217empty
41270.460.7820empty
5830.290.7211empty

Interfaces

3 interfaces between chains.

  • E–A · 643 Ų buried · 20 hydrogen bonds · protein-nucleic
  • D–E · 634 Ų buried · 62 hydrogen bonds · nucleic-nucleic
  • D–A · 444 Ų buried · 16 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 1LWW · Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine · the same entry in another collection · chain D against D, TM-score 1.00
  • O15527 · AlphaFold monomer V2.0 prediction for N-GLYCOSYLASE/DNA lyase (O15527) · a predicted model of the same protein · chain A against A, TM-score 0.99

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