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Human parallel stranded 7-mer G-quadruplex complexed with 2 adriamycin (DM2) molecules

Analyse Human parallel stranded 7-mer G-quadruplex complexed with 2 adriamycin (DM2)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KN4
Type
DNA
Length
28 nucleotides
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')
Ligands
DM2

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DDNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')dna7——

Ligands and binding sites

  • DM2 · Doxorubicin · ligand · 2 copies · chains A, D

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

Interfaces

6 interfaces between chains.

  • B–C · 373 Ų buried · 7 hydrogen bonds · nucleic-nucleic
  • A–D · 323 Ų buried · 10 hydrogen bonds · nucleic-nucleic
  • C–D · 314 Ų buried · 10 hydrogen bonds · nucleic-nucleic
  • A–B · 303 Ų buried · 11 hydrogen bonds · nucleic-nucleic
  • B–D · 65 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6KN4 · Human parallel stranded 7-mer G-quadruplex complexed with 2 adriamycin (DM2) molecules · the same entry in another collection · chain A against A, TM-score 1.00

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