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MolNFT v1 · #5234 · protein + DNA

Crystal structure of the human 8-oxoguanine glycosylase (HOGG1) bound to a substrate oligonucleotide

1EBM · DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)…: “Crystal structure of the human 8-oxoguanine glycosylase (HOGG1) bound to a substrate oligonucleotide”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.60). MolNFT v1 #5234 on…

PDB
1EBM
Type
protein + DNA
Length
344 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG) P*GP*TP*CP*TP*AP*CP*C)-3'); DNA (5'…
UniProt
O15527
Ligands
CA
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG) P*GP*TP*CP*TP*AP*CP*C)-3')dna15——
DDNA (5'- D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3')dna15——
A8-oxoguanine DNA glycosylaseprotein31447% helix, 11% strandO15527

Ligands and binding sites

  • CA · Calcium ion · metal · chains C, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14010.600.7638CA
2800.440.8016empty
31290.440.7619empty
4980.320.7215empty
5590.280.7412empty

Interfaces

3 interfaces between chains.

  • C–A · 772 Ų buried · 25 hydrogen bonds · protein-nucleic
  • C–D · 644 Ų buried · 47 hydrogen bonds · nucleic-nucleic
  • D–A · 420 Ų buried · 13 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 1EBM · Crystal structure of the human 8-oxoguanine glycosylase (HOGG1) bound to a substrate… · the same entry in another collection · chain C against C, 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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