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MolNFT v1 · #62821 · DNA

A bimolecular anti-parallel-stranded oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine bsu-6042 in small unit cell

3EQW · 5'- D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3': “A bimolecular anti-parallel-stranded oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted…”. X-ray diffraction, 2 ligands (NCI, K). MolNFT v1 #62821 on…

PDB
3EQW
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3'
Ligands
NCI, K

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'- D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3'dna12——

Ligands and binding sites

  • NCI · 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine · ligand · chains A, B
  • 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 · 790 Ų buried · 61 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3EQW · A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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