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Strong binding in the DNA minor groove by an aromatic diamidine with a shape that does not match the curvature of the groove

Analyse Strong binding in the DNA minor groove by an aromatic diamidine with a shape… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1M6F
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Ligands
CGQ, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')dna12——

Ligands and binding sites

  • CGQ · 3-[C-[N'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium · ligand · chains A, B
  • MG · Magnesium ion · metal · 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 · 566 Ų buried · 57 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1M6F · Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does… · the same entry in another collection · chain A against A, TM-score 1.00

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