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Crystal structure of a nucleic acid four-way junction

Analyse Crystal structure of a nucleic acid four-way junction in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1EGK
Type
DNA + RNA
Length
108 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'- R(*AP*GP*GP*AP*GP*AP*GP*AP*GP*AP*UP*GP*GP*GP*UP*GP*CP*GP*AP*G)-3'); 10-23 DNA…
Ligands
MG
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CRNA (5'- R(*AP*GP*GP*AP*GP*AP*GP*AP*GP*AP*UP*GP*GP*GP*UP*GP*CP*GP*AP*G)-3')rna20——
B, D10-23 DNA enzymedna34——

Ligands and binding sites

  • MG · Magnesium ion · metal · 14 copies · chains A, B, D, C

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110290.690.7543MG
29860.660.7337MG
31100.440.7914empty

Interfaces

6 interfaces between chains.

  • A–D · 728 Ų buried · 47 hydrogen bonds · nucleic-nucleic
  • B–C · 695 Ų buried · 59 hydrogen bonds · nucleic-nucleic
  • B–D · 572 Ų buried · 36 hydrogen bonds · nucleic-nucleic
  • C–D · 533 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • A–B · 523 Ų buried · 46 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1EGK · Crystal structure of a nucleic acid four-way junction · the same entry in another collection · chain A against A, TM-score 1.00

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