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Structure of centromeric satellite III non-canonical duplex

Analyse Structure of centromeric satellite III non-canonical duplex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JLH
Type
DNA
Length
30 nucleotides
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA aatgg
Ligands
MG
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FDNA aatggdna5——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains B, C, D
  • ACT · Acetate ion · additive · chains A, B, D

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
13160.530.7525MG

Interfaces

6 interfaces between chains.

  • A–B · 318 Ų buried · 19 hydrogen bonds · nucleic-nucleic
  • C–D · 308 Ų buried · 23 hydrogen bonds · nucleic-nucleic
  • E–F · 282 Ų buried · 18 hydrogen bonds · nucleic-nucleic
  • B–D · 80 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • B–C · 28 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7JLH · Structure of Centromeric Satellite III Non-canonical Duplex · the same entry in another collection · chain A against A, TM-score 1.00

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