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Crystal structure of the DNA decamer D(CGCAATTGCG) complexed with the minor groove binding drug netropsin

Analyse Crystal structure of the DNA decamer D(CGCAATTGCG) complexed with the minor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
261D
Type
DNA
Length
19 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')
Ligands
NT

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')dna10——
BDNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')dna9——

Ligands and binding sites

  • NT · Netropsin · ligand · 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 · 362 Ų buried · 30 hydrogen bonds · nucleic-nucleic

Compared structures

  • 261D · Crystal structure of the DNA decamer D(CGCAATTGCG) complexed with the minor groove… · the same entry in another collection · chain A against A, TM-score 1.00

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