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Crystal structure of mutt-8-oxo-dgtp complex: reaction for 9 hr using 5 mm MN2+

Analyse Crystal structure of mutt-8-oxo-dgtp complex: reaction for 9 hr using 5 mm MN2+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7X9H
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
7,8-dihydro-8-oxoguanine-triphosphatase
EC
3.6.1.55, 3.6.1.-
UniProt
A0A037YRW7
Ligands
8DG, 8OG, GLC, FRU, MN, NA, SO4
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A7,8-dihydro-8-oxoguanine-triphosphatase (EC 3.6.1.55, 3.6.1.-)protein12922% helix, 40% strandA0A037YRW7

Ligands and binding sites

  • 8DG · 8-oxo-2'-deoxyguanosine-5'-triphosphate · ligand · chains A
  • 8OG · 8-oxo-2'-deoxy-guanosine-5'-monophosphate · ligand · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • FRU · beta-D-fructofuranose · sugar · chains A
  • MN · Manganese (II) ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.650.84288DG, 8OG, MN, NA

Compared structures

  • 7X9H · Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 9 hr using 5 mM Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00

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