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Crystal structure of mutt-8-oxo-dgmp complex

Analyse Crystal structure of mutt-8-oxo-dgmp complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3A6T
Type
protein
Length
127 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mutator mutt protein
EC
3.6.1.-
UniProt
P08337
Ligands
8OG, GLC, FRU, NA, SO4
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMutator mutt protein (EC 3.6.1.-)protein12720% helix, 40% strandP08337

Ligands and binding sites

  • 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
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.620.86218OG

Compared structures

  • 3A6T · Crystal structure of MutT-8-OXO-DGMP complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P08337 · AlphaFold monomer V2.0 prediction for 8-oxo-dgtp diphosphatase (P08337) · a predicted model of the same protein · chain A against A, TM-score 0.92

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