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Structure of E. COLI exoix in complex with the palindromic 5OV6 oligonucleotide and potassium

Analyse Structure of E. COLI exoix in complex with the palindromic 5OV6 oligonucleotide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZDD
Type
protein + DNA
Length
257 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein xni; 5OV6 DNA
EC
3.1.-.-
UniProt
Q8X6R9
Ligands
K
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein xni (EC 3.1.-.-)protein24754% helix, 12% strandQ8X6R9
B5OV6 DNAdna10——

Ligands and binding sites

  • K · Potassium ion · metal · chains A, B
  • IPA · Isopropyl alcohol · additive · chains A
  • EDO · 1,2-ethanediol · additive · 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
15850.680.7765empty

Interfaces

1 interface between chains.

  • A–B · 257 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 3ZDD · Structure of E. coli ExoIX in complex with the palindromic 5ov6 oligonucleotide and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8X6R9 · AlphaFold monomer V2.0 prediction for flap endonuclease xni (Q8X6R9) · a predicted model of the same protein · chain A against A, TM-score 0.99

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