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MolNFT v1 · #84203 · protein + DNA

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

3ZDD · Protein xni: “Structure of E. COLI exoix in complex with the palindromic 5OV6 oligonucleotide and potassium”. X-ray diffraction, 1 ligand (K), 1 pocket (best druggability 0.68). MolNFT v1 #84203 on GenesisL1: 3D structure, binding…

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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