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Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra- quinoline foldamer

Analyse Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra- quinoline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5HIX
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dimeric G-quadruplex
Ligands
61Q, K

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDimeric G-quadruplexdna12——

Ligands and binding sites

  • 61Q · 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid · ligand · chains A
  • K · Potassium ion · metal · 4 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 810 Ų buried · 62 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5HIX · Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer · the same entry in another collection · chain A against A, TM-score 1.00

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